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

Systemtic Name: N4-phenyl-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-phenyl-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-phenyl-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: (5-amino-6-anilino-pyrimidin-4-yl)-(3-pyridylmethyl)amine Formula: C16H16N6 MolecularWeight: 292.33844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C16H16N6/c17-14-15(19-10-12-5-4-8-18-9-12)20-11-21-16(14)22-13-6-2-1-3-7-13/h1-9,11H,10,17H2,(H2,19,20,21,22)