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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(furan-2-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(2-furyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(2-furanyl)-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-(furan-2-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-furyl)-6-keto-2-(4-piperonylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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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=CO5

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CO5

InChI

InChI=1S/C23H26N4O6/c1-2-30-22(29)19-20(17-4-3-11-31-17)24-23(25-21(19)28)27-9-7-26(8-10-27)13-15-5-6-16-18(12-15)33-14-32-16/h3-6,11-12,19-20H,2,7-10,13-14H2,1H3,(H,24,25,28)