8-(2-azanylpyrimidin-4-yl)-N-(2-chloranyl-5-fluoranyl-phenyl)-9-cyclopropyl-purin-2-amine

Systemtic Name: 8-(2-azanylpyrimidin-4-yl)-N-(2-chloranyl-5-fluoranyl-phenyl)-9-cyclopropyl-purin-2-amine Openeye Name: 8-(2-aminopyrimidin-4-yl)-N-(2-chloro-5-fluoro-phenyl)-9-cyclopropyl-purin-2-amine CAS Name: 8-(2-amino-4-pyrimidinyl)-N-(2-chloro-5-fluorophenyl)-9-cyclopropyl-2-purinamine IUPAC Name: 8-(2-aminopyrimidin-4-yl)-N-(2-chloro-5-fluorophenyl)-9-cyclopropylpurin-2-amine Traditional Name: [8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-purin-2-yl]-(2-chloro-5-fluoro-phenyl)amine Formula: C18H14ClFN8 MolecularWeight: 396.808763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CN=C(N=C32)NC4=C(C=CC(=C4)F)Cl)C5=NC(=NC=C5)N

Isomeric SMILES

C1CC1N2C(=NC3=CN=C(N=C32)NC4=C(C=CC(=C4)F)Cl)C5=NC(=NC=C5)N

InChI

InChI=1S/C18H14ClFN8/c19-11-4-1-9(20)7-13(11)26-18-23-8-14-16(27-18)28(10-2-3-10)15(24-14)12-5-6-22-17(21)25-12/h1,4-8,10H,2-3H2,(H2,21,22,25)(H,23,26,27)