1-(3-bromophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-bromophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(3-bromophenyl)-N-[(E)-4-pyridylmethyleneamino]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-bromophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-bromophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-[(E)-4-pyridylmethyleneamino]amine Formula: C17H12BrN7 MolecularWeight: 394.22808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C3=C(C=N2)C(=NC=N3)NN=CC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C3=C(C=N2)C(=NC=N3)N/N=C/C4=CC=NC=C4

InChI

InChI=1S/C17H12BrN7/c18-13-2-1-3-14(8-13)25-17-15(10-23-25)16(20-11-21-17)24-22-9-12-4-6-19-7-5-12/h1-11H,(H,20,21,24)/b22-9+