N-(3-chloranyl-4-fluoranyl-phenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H13ClFN5 MolecularWeight: 353.780723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H13ClFN5/c1-11-3-2-4-13(7-11)25-18-14(9-23-25)17(21-10-22-18)24-12-5-6-16(20)15(19)8-12/h2-10H,1H3,(H,21,22,24)