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

Systemtic Name: N4-(3,5-dimethylphenyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine CAS Name: N4-(3,5-dimethylphenyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C23H28N6 MolecularWeight: 388.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6/c1-17-12-18(2)14-20(13-17)27-22-21(24)23(26-16-25-22)29-10-8-28(9-11-29)15-19-6-4-3-5-7-19/h3-7,12-14,16H,8-11,15,24H2,1-2H3,(H,25,26,27)