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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-(4-piperonylpiperazino)-1H-pyrimidin-4-one Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H22N4O3/c1-12-13(2)19-18(20-17(12)23)22-7-5-21(6-8-22)10-14-3-4-15-16(9-14)25-11-24-15/h3-4,9H,5-8,10-11H2,1-2H3,(H,19,20,23)