Home Carboxys methyl 5-amino-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

methyl 5-amino-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

CAS No.:
1909316-25-1
Catalog Number:
AG01B2C7
Molecular Formula:
C10H11N3O4S
Molecular Weight:
269.2770
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Product Description
Catalog Number:
AG01B2C7
Chemical Name:
methyl 5-amino-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
CAS Number:
1909316-25-1
Molecular Formula:
C10H11N3O4S
Molecular Weight:
269.2770
MDL Number:
MFCD29907383
IUPAC Name:
methyl 5-amino-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C10H11N3O4S/c1-12-7(14)4-5(11)6(9(15)17-3)18-8(4)13(2)10(12)16/h11H2,1-3H3
InChI Key:
NAFGFJDDAMPKCT-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1N)c(=O)n(c(=O)n2C)C
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.047g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.275g/mol
Monoisotopic Mass:
269.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties