ethyl 7-methylidene-4-oxidanylidene-2-(phenylmethylsulfanyl)-5-pyridin-4-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-methylidene-4-oxidanylidene-2-(phenylmethylsulfanyl)-5-pyridin-4-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-7-methylene-4-oxo-5-(4-pyridyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-methylene-4-oxo-2-(phenylmethylthio)-5-pyridin-4-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-7-methylidene-4-oxo-5-pyridin-4-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-4-keto-7-methylene-5-(4-pyridyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(NC1=C)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1C(C2=C(NC1=C)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H22N4O3S/c1-3-30-22(29)17-14(2)25-20-19(18(17)16-9-11-24-12-10-16)21(28)27-23(26-20)31-13-15-7-5-4-6-8-15/h4-12,17-18H,2-3,13H2,1H3,(H2,25,26,27,28)