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

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-(4-piperonylpiperazino)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N4O5/c1-2-26-18(25)14-10-20-19(21-17(14)24)23-7-5-22(6-8-23)11-13-3-4-15-16(9-13)28-12-27-15/h3-4,9-10H,2,5-8,11-12H2,1H3,(H,20,21,24)