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

Systemtic Name: methyl 2-ethylsulfanyl-7-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-ethylsulfanyl-7-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(ethylthio)-7-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-ethylsulfanyl-7-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(ethylthio)-4-keto-7-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC)C

Isomeric SMILES

CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC)C

InChI

InChI=1S/C19H18N4O7S/c1-4-31-19-21-16-15(17(24)22-19)14(13(8(2)20-16)18(25)28-3)9-5-11-12(30-7-29-11)6-10(9)23(26)27/h5-6,14H,4,7H2,1-3H3,(H2,20,21,22,24)