N4-(6-methylpyridin-2-yl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(6-methylpyridin-2-yl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(6-methyl-2-pyridyl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(6-methyl-2-pyridinyl)-N6-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(6-methylpyridin-2-yl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(6-methyl-2-pyridyl)amino]pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O/c1-15-6-5-9-19(26-15)28-22-20(23)21(24-14-25-22)27-16-10-12-18(13-11-16)29-17-7-3-2-4-8-17/h2-14H,23H2,1H3,(H2,24,25,26,27,28)