N4-(3,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(3,5-dimethylphenyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(3,5-dimethylphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C21H25N7 MolecularWeight: 375.4701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C21H25N7/c1-15-11-16(2)13-17(12-15)26-20-19(22)21(25-14-24-20)28-9-7-27(8-10-28)18-5-3-4-6-23-18/h3-6,11-14H,7-10,22H2,1-2H3,(H,24,25,26)