2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pyrimidine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-methylpyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylpyrimidine Traditional Name: 4-methyl-2-(4-piperonylpiperazino)pyrimidine Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N4O2/c1-13-4-5-18-17(19-13)21-8-6-20(7-9-21)11-14-2-3-15-16(10-14)23-12-22-15/h2-5,10H,6-9,11-12H2,1H3