4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-6-phenyl-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-6-phenyl-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-6-phenyl-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-methyl-6-phenylpyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-6-phenylpyrimidine Traditional Name: 2-methyl-4-phenyl-6-(4-piperonylpiperazino)pyrimidine Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4O2/c1-17-24-20(19-5-3-2-4-6-19)14-23(25-17)27-11-9-26(10-12-27)15-18-7-8-21-22(13-18)29-16-28-21/h2-8,13-14H,9-12,15-16H2,1H3