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Home > Pyridines > 885461-05-2
885461-05-2 | METHYL 7-ISOPROPYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIDO[2,3-D]PYRIMIDI+
CAS No: 885461-05-2 Catalog No: AG019NZO MDL No:MFCD06660781
Product Description
Catalog Number:
AG019NZO
Chemical Name:
METHYL 7-ISOPROPYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIDO[2,3-D]PYRIMIDI+
CAS Number:
885461-05-2
Molecular Formula:
C12H13N3O3S
Molecular Weight:
279.3149
MDL Number:
MFCD06660781
IUPAC Name:
methyl 4-oxo-7-propan-2-yl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C12H13N3O3S/c1-5(2)7-4-6(11(17)18-3)8-9(13-7)14-12(19)15-10(8)16/h4-5H,1-3H3,(H2,13,14,15,16,19)
InChI Key:
RLLRZOIBJIJTOL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(nc2c1c(=O)[nH]c(n2)S)C(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.314g/mol
Monoisotopic Mass:
279.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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