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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O4/c1-24-11-14-9-17(23)20-18(19-14)22-6-4-21(5-7-22)10-13-2-3-15-16(8-13)26-12-25-15/h2-3,8-9H,4-7,10-12H2,1H3,(H,19,20,23)