N-(4-nitrophenyl)-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

Systemtic Name: N-(4-nitrophenyl)-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine Openeye Name: N-(4-nitrophenyl)-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine CAS Name: N-(4-nitrophenyl)-N'-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)ethane-1,2-diamine IUPAC Name: N-(4-nitrophenyl)-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine Traditional Name: 2-(4-nitroanilino)ethyl-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C19H17N7O2 MolecularWeight: 375.38398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N7O2/c27-26(28)16-8-6-14(7-9-16)20-10-11-21-18-17-12-24-25(19(17)23-13-22-18)15-4-2-1-3-5-15/h1-9,12-13,20H,10-11H2,(H,21,22,23)