1-(4-nitrophenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol

Systemtic Name: 1-(4-nitrophenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol Openeye Name: 1-(4-nitrophenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol CAS Name: 1-(4-nitrophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]propane-1,3-diol IUPAC Name: 1-(4-nitrophenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol Traditional Name: 1-(4-nitrophenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O4/c27-11-17(18(28)13-6-8-15(9-7-13)26(29)30)24-19-16-10-23-25(20(16)22-12-21-19)14-4-2-1-3-5-14/h1-10,12,17-18,27-28H,11H2,(H,21,22,24)