ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(m-tolyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-4-(m-tolyl)-2-(4-piperonylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)C

InChI

InChI=1S/C26H30N4O5/c1-3-33-25(32)22-23(19-6-4-5-17(2)13-19)27-26(28-24(22)31)30-11-9-29(10-12-30)15-18-7-8-20-21(14-18)35-16-34-20/h4-8,13-14,22-23H,3,9-12,15-16H2,1-2H3,(H,27,28,31)