N-(4-acetamidophenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-6-keto-2-(4-piperonylpiperazino)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N6O5/c1-16(32)26-18-3-5-19(6-4-18)27-24(34)20-13-23(33)29-25(28-20)31-10-8-30(9-11-31)14-17-2-7-21-22(12-17)36-15-35-21/h2-7,12,20H,8-11,13-15H2,1H3,(H,26,32)(H,27,34)(H,28,29,33)