6-(4-chloranyl-3,5-dimethyl-phenoxy)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3,5-dimethyl-phenoxy)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H18ClN5O MolecularWeight: 355.82142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2N)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2N)NCC3=CN=CC=C3

InChI

InChI=1S/C18H18ClN5O/c1-11-6-14(7-12(2)15(11)19)25-18-16(20)17(23-10-24-18)22-9-13-4-3-5-21-8-13/h3-8,10H,9,20H2,1-2H3,(H,22,23,24)