2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide

Systemtic Name: 2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide Openeye Name: 2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide CAS Name: 2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-[oxo-(2-thiophen-2-ylethylamino)methyl]acetamide IUPAC Name: 2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide Traditional Name: 2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide Formula: C20H17N7O5S MolecularWeight: 467.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC(=O)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC(=O)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N7O5S/c28-17(24-20(30)21-8-7-13-4-3-9-33-13)11-25-12-22-18-14(19(25)29)10-23-26(18)15-5-1-2-6-16(15)27(31)32/h1-6,9-10,12H,7-8,11H2,(H2,21,24,28,30)