6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2,3-dimethylphenyl)piperazino]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H27N7 MolecularWeight: 389.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)N)C

InChI

InChI=1S/C22H27N7/c1-16-5-3-7-19(17(16)2)28-9-11-29(12-10-28)22-20(23)21(26-15-27-22)25-14-18-6-4-8-24-13-18/h3-8,13,15H,9-12,14,23H2,1-2H3,(H,25,26,27)