N4-(2-imidazol-1-yl-1-phenyl-ethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(2-imidazol-1-yl-1-phenyl-ethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(2-imidazol-1-yl-1-phenyl-ethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-[2-(1-imidazolyl)-1-phenylethyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-imidazol-1-yl-1-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(2-imidazol-1-yl-1-phenyl-ethyl)amine Formula: C16H16N8 MolecularWeight: 320.35184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C=CN=C2)NC3=NC(=NC4=C3C=NN4)N

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C=CN=C2)NC3=NC(=NC4=C3C=NN4)N

InChI

InChI=1S/C16H16N8/c17-16-21-14(12-8-19-23-15(12)22-16)20-13(9-24-7-6-18-10-24)11-4-2-1-3-5-11/h1-8,10,13H,9H2,(H4,17,19,20,21,22,23)