(phenylmethyl) 4-azanyl-7-methyl-5-pyridin-3-yl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 4-azanyl-7-methyl-5-pyridin-3-yl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-amino-7-methyl-5-(3-pyridyl)-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-7-methyl-5-(3-pyridinyl)-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-7-methyl-5-pyridin-3-yl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-7-methyl-5-(3-pyridyl)-2-thioxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NC(=S)N=C2N1)N)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(NC(=S)N=C2N1)N)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-12-15(20(27)28-11-13-6-3-2-4-7-13)16(14-8-5-9-23-10-14)17-18(22)25-21(29)26-19(17)24-12/h2-10,16H,11H2,1H3,(H4,22,24,25,26,29)