Name: Name:4H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one,3-amino-3,5,6,7,8,9-hexahydro-2-methyl-
Brand: Angene
SKU: AG007Q2X
Rating: 90 (10 reviews)

4H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one,3-amino-3,5,6,7,8,9-hexahydro-2-methyl-

CAS No.:

120354-22-5

Catalog Number:

AG007Q2X

Molecular Formula:

C12H15N3OS

Molecular Weight:

249.3320

Catalog Number:

AG007Q2X

Chemical Name:

4H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one,3-amino-3,5,6,7,8,9-hexahydro-2-methyl-

CAS Number:

120354-22-5

Molecular Formula:

C12H15N3OS

Molecular Weight:

249.3320

MDL Number:

MFCD01734439

IUPAC Name:

4-amino-5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

InChI:

InChI=1S/C12H15N3OS/c1-7-14-11-10(12(16)15(7)13)8-5-3-2-4-6-9(8)17-11/h2-6,13H2,1H3

InChI Key:

UXBLDQMSOWQULB-UHFFFAOYSA-N

SMILES:

Nn1c(C)nc2c(c1=O)c1CCCCCc1s2

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.332g/mol

Monoisotopic Mass:

249.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9