ethyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-5-pyridin-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-5-pyridin-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-5-(2-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 7-methyl-2-[(4-nitrophenyl)methylthio]-4-oxo-5-(2-pyridinyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-5-pyridin-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-7-methyl-2-[(4-nitrobenzyl)thio]-5-(2-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H21N5O5S MolecularWeight: 479.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=N3)C(=O)N=C(N2)SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=N3)C(=O)N=C(N2)SCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H21N5O5S/c1-3-33-22(30)17-13(2)25-20-19(18(17)16-6-4-5-11-24-16)21(29)27-23(26-20)34-12-14-7-9-15(10-8-14)28(31)32/h4-11,18H,3,12H2,1-2H3,(H2,25,26,27,29)