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

Systemtic Name: N-(4-bromophenyl)-1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-bromophenyl)-1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-bromophenyl)-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H13BrClN5 MolecularWeight: 414.68632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrClN5/c1-11-2-7-14(8-16(11)20)25-18-15(9-23-25)17(21-10-22-18)24-13-5-3-12(19)4-6-13/h2-10H,1H3,(H,21,22,24)