methyl 5-(4-chloranyl-3-nitro-phenyl)-2-ethylsulfanyl-7-methyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-(4-chloranyl-3-nitro-phenyl)-2-ethylsulfanyl-7-methyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(4-chloro-3-nitro-phenyl)-2-ethylsulfanyl-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(4-chloro-3-nitrophenyl)-2-(ethylthio)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chloro-3-nitrophenyl)-2-ethylsulfanyl-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(4-chloro-3-nitro-phenyl)-2-(ethylthio)-4-keto-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C18H17ClN4O5S/c1-4-29-18-21-15-14(16(24)22-18)13(12(8(2)20-15)17(25)28-3)9-5-6-10(19)11(7-9)23(26)27/h5-7,13H,4H2,1-3H3,(H2,20,21,22,24)