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89374-52-7 | Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1-methyl-2-thioxo-
CAS No: 89374-52-7 Catalog No: AG003X7G MDL No:
Product Description
Catalog Number:
AG003X7G
Chemical Name:
Pyrido[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-1-methyl-2-thioxo-
CAS Number:
89374-52-7
Molecular Formula:
C8H7N3OS
Molecular Weight:
193.2257
IUPAC Name:
1-methyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C8H7N3OS/c1-11-6-5(3-2-4-9-6)7(12)10-8(11)13/h2-4H,1H3,(H,10,12,13)
InChI Key:
CDFMUHKVAPCMQW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)n(c2c1cccn2)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.224g/mol
Monoisotopic Mass:
193.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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