N-(4-fluorophenyl)-9-methyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine

Systemtic Name: N-(4-fluorophenyl)-9-methyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine Openeye Name: N-(4-fluorophenyl)-9-methyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine CAS Name: N-(4-fluorophenyl)-9-methyl-8-[2-(methylamino)-4-pyrimidinyl]-2-purinamine IUPAC Name: N-(4-fluorophenyl)-9-methyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine Traditional Name: [4-[2-(4-fluoroanilino)-9-methyl-purin-8-yl]pyrimidin-2-yl]-methyl-amine Formula: C17H15FN8 MolecularWeight: 350.353003

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=NC3=CN=C(N=C3N2C)NC4=CC=C(C=C4)F

Isomeric SMILES

CNC1=NC=CC(=N1)C2=NC3=CN=C(N=C3N2C)NC4=CC=C(C=C4)F

InChI

InChI=1S/C17H15FN8/c1-19-16-20-8-7-12(24-16)14-23-13-9-21-17(25-15(13)26(14)2)22-11-5-3-10(18)4-6-11/h3-9H,1-2H3,(H,19,20,24)(H,21,22,25)