methyl (4R,5S)-6-oxidanylidene-4-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R,5S)-6-oxidanylidene-4-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R,5S)-2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-6-oxo-4-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-2-(4-benzylpiperazin-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-2-(4-benzylpiperazino)-6-keto-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1[C@@H](N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c1-30-22(29)19-20(18-10-6-3-7-11-18)24-23(25-21(19)28)27-14-12-26(13-15-27)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,24,25,28)/t19-,20-/m0/s1