ethyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)[N+](=O)[O-])C

InChI

InChI=1S/C12H13N3O5S/c1-3-20-11(16)9-6(2)13-12(17)14-10(9)7-4-5-8(21-7)15(18)19/h4-5,10H,3H2,1-2H3,(H2,13,14,17)