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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H28N6O2/c1-16-9-17(2)11-19(10-16)28-23-22(25)24(27-14-26-23)30-7-5-29(6-8-30)13-18-3-4-20-21(12-18)32-15-31-20/h3-4,9-12,14H,5-8,13,15,25H2,1-2H3,(H,26,27,28)