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

Systemtic Name: N4-(5-chloranyl-2-methoxy-phenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(5-chloro-2-methoxy-phenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(5-chloro-2-methoxyphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(5-chloro-2-methoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(5-chloro-2-methoxy-anilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H17ClN6O MolecularWeight: 356.80948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6O/c1-25-14-5-4-12(18)7-13(14)24-17-15(19)16(22-10-23-17)21-9-11-3-2-6-20-8-11/h2-8,10H,9,19H2,1H3,(H2,21,22,23,24)