ethyl 5-azanyl-2-methylsulfanyl-4-(3-nitrophenyl)-7-oxidanylidene-8H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-(3-nitrophenyl)-7-oxidanylidene-8H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-methylsulfanyl-4-(3-nitrophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-(3-nitrophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methylsulfanyl-4-(3-nitrophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-7-keto-2-(methylthio)-4-(3-nitrophenyl)-8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2NC1=O)SC)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2NC1=O)SC)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H15N5O5S/c1-3-27-16(24)11-12(18)10-13(8-5-4-6-9(7-8)22(25)26)19-17(28-2)21-14(10)20-15(11)23/h4-7H,3H2,1-2H3,(H3,18,19,20,21,23)