3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3-nitrophenyl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)propionamide Formula: C15H14N6O4 MolecularWeight: 342.30946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O4/c1-19-14-12(8-17-19)15(23)20(9-16-14)6-5-13(22)18-10-3-2-4-11(7-10)21(24)25/h2-4,7-9H,5-6H2,1H3,(H,18,22)