6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-ethyl-N4-(3-methylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-ethyl-N4-(3-methylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-ethyl-N4-(m-tolyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-ethyl-N4-(3-methylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H30N6O2/c1-3-31(20-6-4-5-18(2)13-20)25-23(26)24(27-16-28-25)30-11-9-29(10-12-30)15-19-7-8-21-22(14-19)33-17-32-21/h4-8,13-14,16H,3,9-12,15,17,26H2,1-2H3