methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6/c1-29-21(28)18-19(16-3-2-10-30-16)23-22(24-20(18)27)26-8-6-25(7-9-26)12-14-4-5-15-17(11-14)32-13-31-15/h2-5,10-11,18-19H,6-9,12-13H2,1H3,(H,23,24,27)