Home Aminos N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl)phenyl)acetamide compound with (methylsulfinyl)methane (1:1)

N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl)phenyl)acetamide compound with (methylsulfinyl)methane (1:1)

CAS No.:
1187431-43-1
Catalog Number:
AG008TKB
Molecular Formula:
C28H29FIN5O5S
Molecular Weight:
693.5282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$140
- +
50mg
99%
1 week
United States
$190
- +
100mg
99%
1 week
United States
$255
- +
Product Description
Catalog Number:
AG008TKB
Chemical Name:
N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl)phenyl)acetamide compound with (methylsulfinyl)methane (1:1)
CAS Number:
1187431-43-1
Molecular Formula:
C28H29FIN5O5S
Molecular Weight:
693.5282
MDL Number:
MFCD21609250
IUPAC Name:
N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;methylsulfinylmethane
InChI:
InChI=1S/C26H23FIN5O4.C2H6OS/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34;1-4(2)3/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34);1-2H3
InChI Key:
OQUFJVRYDFIQBW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C.CS(=O)C
UNII:
BSB9VJ5TUT
Properties
Complexity:
1120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
693.092g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
693.533g/mol
Monoisotopic Mass:
693.092g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties