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

Systemtic Name: 4-(4-bromanylphenoxy)-1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-bromophenoxy)-1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-bromophenoxy)-1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-bromophenoxy)-1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-bromophenoxy)-1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidine Formula: C18H12BrClN4O MolecularWeight: 415.67108

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrClN4O/c1-11-2-5-13(20)8-16(11)24-17-15(9-23-24)18(22-10-21-17)25-14-6-3-12(19)4-7-14/h2-10H,1H3