2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methyl-pyrimidin-4-amine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-methoxyphenyl)-6-methyl-4-pyrimidinamine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine Traditional Name: (4-methoxyphenyl)-[6-methyl-2-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)OC

InChI

InChI=1S/C24H27N5O3/c1-17-13-23(26-19-4-6-20(30-2)7-5-19)27-24(25-17)29-11-9-28(10-12-29)15-18-3-8-21-22(14-18)32-16-31-21/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,26,27)