methyl 3,4-dimethyl-6-(5-nitrothiophen-2-yl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3,4-dimethyl-6-(5-nitrothiophen-2-yl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-dimethyl-6-(5-nitro-2-thienyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(5-nitro-2-thiophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-6-(5-nitrothiophen-2-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(5-nitro-2-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(S2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(S2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H13N3O5S/c1-6-9(11(16)20-3)10(13-12(17)14(6)2)7-4-5-8(21-7)15(18)19/h4-5,10H,1-3H3,(H,13,17)