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Home > Pyridines > 937599-84-3
937599-84-3 | 2-MERCAPTO-1-(2-METHOXYETHYL)-5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ON+
CAS No: 937599-84-3 Catalog No: AG01AO8Y MDL No:MFCD08556219
Product Description
Catalog Number:
AG01AO8Y
Chemical Name:
2-MERCAPTO-1-(2-METHOXYETHYL)-5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ON+
CAS Number:
937599-84-3
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
MDL Number:
MFCD08556219
IUPAC Name:
1-(2-methoxyethyl)-5,7-dimethyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C12H15N3O2S/c1-7-6-8(2)13-10-9(7)11(16)14-12(18)15(10)4-5-17-3/h6H,4-5H2,1-3H3,(H,14,16,18)
InChI Key:
AZARTEMEKIQWIB-UHFFFAOYSA-N
SMILES:
COCCn1c(S)nc(=O)c2c1nc(C)cc2C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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