N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(5-chloro-2,4-dimethoxy-anilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H19ClN6O2 MolecularWeight: 386.83546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N)Cl)OC

InChI

InChI=1S/C18H19ClN6O2/c1-26-14-7-15(27-2)13(6-12(14)19)25-18-16(20)17(23-10-24-18)22-9-11-4-3-5-21-8-11/h3-8,10H,9,20H2,1-2H3,(H2,22,23,24,25)