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

Systemtic Name: N4-(3,5-dimethylphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(3,5-dimethylphenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(3,5-dimethylphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H20N6 MolecularWeight: 320.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N)C

InChI

InChI=1S/C18H20N6/c1-12-6-13(2)8-15(7-12)24-18-16(19)17(22-11-23-18)21-10-14-4-3-5-20-9-14/h3-9,11H,10,19H2,1-2H3,(H2,21,22,23,24)