N4-(2,4-dimethoxyphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(2,4-dimethoxyphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(2,4-dimethoxyphenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(2,4-dimethoxyphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H20N6O2 MolecularWeight: 352.3904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N)OC

InChI

InChI=1S/C18H20N6O2/c1-25-13-5-6-14(15(8-13)26-2)24-18-16(19)17(22-11-23-18)21-10-12-4-3-7-20-9-12/h3-9,11H,10,19H2,1-2H3,(H2,21,22,23,24)