N-(4-azanylidene-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-bromanyl-benzamide

Systemtic Name: N-(4-azanylidene-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-bromanyl-benzamide Openeye Name: 4-bromo-N-(4-imino-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide CAS Name: 4-bromo-N-(4-imino-2-phenethyl-5-pyrazolo[3,4-d]pyrimidinyl)benzamide IUPAC Name: 4-bromo-N-(4-imino-2-phenethylpyrazolo[3,4-d]pyrimidin-5-yl)benzamide Traditional Name: 4-bromo-N-(4-imino-2-phenethyl-pyrazolo[3,4-d]pyrimidin-5-yl)benzamide Formula: C20H17BrN6O MolecularWeight: 437.29258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C3C(=N)N(C=NC3=N2)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C3C(=N)N(C=NC3=N2)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN6O/c21-16-8-6-15(7-9-16)20(28)25-27-13-23-19-17(18(27)22)12-26(24-19)11-10-14-4-2-1-3-5-14/h1-9,12-13,22H,10-11H2,(H,25,28)