2-[2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]thiophene-3-carboxamide Formula: C18H13N7O5S MolecularWeight: 439.40472

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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)NC4=C(C=CS4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=C(C=CS4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O5S/c19-15(27)10-5-6-31-17(10)22-14(26)8-23-9-20-16-11(18(23)28)7-21-24(16)12-3-1-2-4-13(12)25(29)30/h1-7,9H,8H2,(H2,19,27)(H,22,26)