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

Systemtic Name: 2-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]thiophene-3-carboxamide Formula: C18H14N6O3S MolecularWeight: 394.40716

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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

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

InChI

InChI=1S/C18H14N6O3S/c19-15(26)12-6-7-28-17(12)22-14(25)9-23-10-20-16-13(18(23)27)8-21-24(16)11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,19,26)(H,22,25)