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

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-4-fluoro-anilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H14ClFN6 MolecularWeight: 344.773963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H14ClFN6/c17-12-6-11(3-4-13(12)18)24-16-14(19)15(22-9-23-16)21-8-10-2-1-5-20-7-10/h1-7,9H,8,19H2,(H2,21,22,23,24)