N-(4-oxidanylidene-1-phenyl-6-phenylazanyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiophene-2-carboxamide

Systemtic Name: N-(4-oxidanylidene-1-phenyl-6-phenylazanyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiophene-2-carboxamide Openeye Name: N-(6-anilino-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiophene-2-carboxamide CAS Name: N-(6-anilino-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-2-thiophenecarboxamide IUPAC Name: N-(6-anilino-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)thiophene-2-carboxamide Traditional Name: N-(6-anilino-4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiophene-2-carboxamide Formula: C22H16N6O2S MolecularWeight: 428.46644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2NC(=O)C5=CC=CS5

InChI

InChI=1S/C22H16N6O2S/c29-20(18-12-7-13-31-18)26-28-21(30)17-14-23-27(16-10-5-2-6-11-16)19(17)25-22(28)24-15-8-3-1-4-9-15/h1-14H,(H,24,25)(H,26,29)