ethyl 4-(4-methoxyphenyl)-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[[4-(4-nitrophenyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N5O6 MolecularWeight: 495.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O6/c1-3-36-24(31)22-21(26-25(32)27-23(22)17-4-10-20(35-2)11-5-17)16-28-12-14-29(15-13-28)18-6-8-19(9-7-18)30(33)34/h4-11,23H,3,12-16H2,1-2H3,(H2,26,27,32)