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

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N4-(3,5-dimethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C22H25ClN6 MolecularWeight: 408.9271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN6/c1-15-10-16(2)12-18(11-15)27-21-20(24)22(26-14-25-21)29-8-6-28(7-9-29)19-5-3-4-17(23)13-19/h3-5,10-14H,6-9,24H2,1-2H3,(H,25,26,27)