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

Systemtic Name: N4-(3,5-dimethylphenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine CAS Name: N4-(3,5-dimethylphenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzhydrylpiperazino)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C29H32N6 MolecularWeight: 464.60458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H32N6/c1-21-17-22(2)19-25(18-21)33-28-26(30)29(32-20-31-28)35-15-13-34(14-16-35)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-20,27H,13-16,30H2,1-2H3,(H,31,32,33)