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89374-66-3 | Pyrido[2,3-d]pyrimidin-4(1H)-one, 1-(4-methylphenyl)-2-(methylthio)-
CAS No: 89374-66-3 Catalog No: AG003WNA MDL No:MFCD00663415
Product Description
Catalog Number:
AG003WNA
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(1H)-one, 1-(4-methylphenyl)-2-(methylthio)-
CAS Number:
89374-66-3
Molecular Formula:
C15H13N3OS
Molecular Weight:
283.3482
MDL Number:
MFCD00663415
IUPAC Name:
1-(4-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C15H13N3OS/c1-10-5-7-11(8-6-10)18-13-12(4-3-9-16-13)14(19)17-15(18)20-2/h3-9H,1-2H3
InChI Key:
GPZDTQHZCGGPIA-UHFFFAOYSA-N
SMILES:
CSc1nc(=O)c2c(n1c1ccc(cc1)C)nccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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