1-(5-chloranyl-2-methyl-phenyl)-4-(3-fluoranylphenoxy)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(3-fluoranylphenoxy)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(5-chloro-2-methylphenyl)-4-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(3-fluorophenoxy)pyrazolo[3,4-d]pyrimidine Formula: C18H12ClFN4O MolecularWeight: 354.765483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=CC=C4)F

InChI

InChI=1S/C18H12ClFN4O/c1-11-5-6-12(19)7-16(11)24-17-15(9-23-24)18(22-10-21-17)25-14-4-2-3-13(20)8-14/h2-10H,1H3