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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H13ClFN5O MolecularWeight: 369.780123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H13ClFN5O/c1-26-13-5-3-12(4-6-13)25-18-14(9-23-25)17(21-10-22-18)24-11-2-7-16(20)15(19)8-11/h2-10H,1H3,(H,21,22,24)