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

Systemtic Name: 1-(1H-benzimidazol-4-yl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(1H-benzimidazol-4-yl)-N-[(E)-4-pyridylmethyleneamino]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(1H-benzimidazol-4-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(1H-benzimidazol-4-yl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(1H-benzimidazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-[(E)-4-pyridylmethyleneamino]amine Formula: C18H13N9 MolecularWeight: 355.35612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N3C4=C(C=N3)C(=NC=N4)NN=CC5=CC=NC=C5)N=CN2

Isomeric SMILES

C1=CC2=C(C(=C1)N3C4=C(C=N3)C(=NC=N4)N/N=C/C5=CC=NC=C5)N=CN2

InChI

InChI=1S/C18H13N9/c1-2-14-16(21-10-20-14)15(3-1)27-18-13(9-25-27)17(22-11-23-18)26-24-8-12-4-6-19-7-5-12/h1-11H,(H,20,21)(H,22,23,26)/b24-8+