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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-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]-6-(4-tert-butylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-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-tert-butylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-benzylpiperazino)methyl]-6-(4-tert-butylphenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N4O3/c1-6-17-36-27(23-35-20-18-34(19-21-35)22-24-11-9-8-10-12-24)28(30(37)39-7-2)29(33-31(36)38)25-13-15-26(16-14-25)32(3,4)5/h6,8-16,29H,1,7,17-23H2,2-5H3,(H,33,38)