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

Systemtic Name: N4-(4-chloranyl-2-methyl-phenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-chloro-2-methyl-phenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-chloro-2-methylphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-chloro-2-methyl-anilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H17ClN6 MolecularWeight: 340.81008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6/c1-11-7-13(18)4-5-14(11)24-17-15(19)16(22-10-23-17)21-9-12-3-2-6-20-8-12/h2-8,10H,9,19H2,1H3,(H2,21,22,23,24)