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

Systemtic Name: phenethyl 3,4-dimethyl-6-(5-nitrothiophen-2-yl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(S2)[N+](=O)[O-])C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S/c1-12-16(18(23)27-11-10-13-6-4-3-5-7-13)17(20-19(24)21(12)2)14-8-9-15(28-14)22(25)26/h3-9,17H,10-11H2,1-2H3,(H,20,24)