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

Systemtic Name: cyclopentyl 6-methyl-4-(5-nitrothiophen-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(S2)[N+](=O)[O-])C(=O)OC3CCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(S2)[N+](=O)[O-])C(=O)OC3CCCC3

InChI

InChI=1S/C15H17N3O5S/c1-8-12(14(19)23-9-4-2-3-5-9)13(17-15(20)16-8)10-6-7-11(24-10)18(21)22/h6-7,9,13H,2-5H2,1H3,(H2,16,17,20)