2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-ethyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-ethyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-ethyl-4-hydroxy-2-(4-piperonylpiperazino)-1H-pyrimidin-6-one Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C18H22N4O4/c1-2-13-16(23)19-18(20-17(13)24)22-7-5-21(6-8-22)10-12-3-4-14-15(9-12)26-11-25-14/h3-4,9H,2,5-8,10-11H2,1H3,(H2,19,20,23,24)