ethyl 6-(4-methylphenyl)-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-methylphenyl)-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-methylphenyl)-2-oxo-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-6-(4-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-benzylpiperazino)methyl]-2-keto-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)CC=C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)CC=C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H36N4O3/c1-4-15-33-25(21-32-18-16-31(17-19-32)20-23-9-7-6-8-10-23)26(28(34)36-5-2)27(30-29(33)35)24-13-11-22(3)12-14-24/h4,6-14,27H,1,5,15-21H2,2-3H3,(H,30,35)