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Home > Pyridines > 929694-89-3
929694-89-3 | 1-(2,3-dimethylphenyl)-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
CAS No: 929694-89-3 Catalog No: AG00J784 MDL No:MFCD08555683
Product Description
Catalog Number:
AG00J784
Chemical Name:
1-(2,3-dimethylphenyl)-2-mercapto-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
CAS Number:
929694-89-3
Molecular Formula:
C17H17N3OS
Molecular Weight:
311.4014
MDL Number:
MFCD08555683
IUPAC Name:
1-(2,3-dimethylphenyl)-5,7-dimethyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C17H17N3OS/c1-9-6-5-7-13(12(9)4)20-15-14(16(21)19-17(20)22)10(2)8-11(3)18-15/h5-8H,1-4H3,(H,19,21,22)
InChI Key:
XLQAFQIWUJOMKR-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(n1)n(c(nc2=O)S)c1cccc(c1C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.403g/mol
Monoisotopic Mass:
311.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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