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

Systemtic Name: N4-(3,5-dimethylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(3,5-dimethylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(3,5-dimethylphenyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O/c1-16-12-17(2)14-18(13-16)27-22-21(24)23(26-15-25-22)29-10-8-28(9-11-29)19-4-6-20(30-3)7-5-19/h4-7,12-15H,8-11,24H2,1-3H3,(H,25,26,27)