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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-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-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-3-methyl-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-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzylpiperazino)methyl]-6-(4-tert-butylphenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H40N4O3 MolecularWeight: 504.6636

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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)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)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C30H40N4O3/c1-6-37-28(35)26-25(21-34-18-16-33(17-19-34)20-22-10-8-7-9-11-22)32(5)29(36)31-27(26)23-12-14-24(15-13-23)30(2,3)4/h7-15,27H,6,16-21H2,1-5H3,(H,31,36)