N4-(3,5-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(3,5-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine CAS Name: N4-(3,5-dimethylphenyl)-6-(4-phenyl-1-piperazinyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-phenylpiperazino)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C22H26N6 MolecularWeight: 374.48204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6/c1-16-12-17(2)14-18(13-16)26-21-20(23)22(25-15-24-21)28-10-8-27(9-11-28)19-6-4-3-5-7-19/h3-7,12-15H,8-11,23H2,1-2H3,(H,24,25,26)