2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=CN4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=CN4

InChI

InChI=1S/C17H13N5OS/c23-15(14-7-4-8-18-14)10-24-17-13-9-21-22(16(13)19-11-20-17)12-5-2-1-3-6-12/h1-9,11,18H,10H2