N4-(4-phenoxyphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-phenoxyphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-phenoxyphenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-phenoxyphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-phenoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C22H20N6O/c23-20-21(25-14-16-5-4-12-24-13-16)26-15-27-22(20)28-17-8-10-19(11-9-17)29-18-6-2-1-3-7-18/h1-13,15H,14,23H2,(H2,25,26,27,28)