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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-3-ethyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-6-(4-tert-butylphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-3-ethyl-2-oxo-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-6-(4-tert-butylphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzylpiperazino)methyl]-6-(4-tert-butylphenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H42N4O3 MolecularWeight: 518.69018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H42N4O3/c1-6-35-26(22-34-19-17-33(18-20-34)21-23-11-9-8-10-12-23)27(29(36)38-7-2)28(32-30(35)37)24-13-15-25(16-14-24)31(3,4)5/h8-16,28H,6-7,17-22H2,1-5H3,(H,32,37)