1-(azepan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-(1-azepanyl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

InChI

InChI=1S/C19H21N5OS/c25-18(23-10-6-1-2-7-11-23)16(14-8-4-3-5-9-14)24-13-20-17-15(19(24)26)12-21-22-17/h3-5,8-9,12-13,16H,1-2,6-7,10-11H2,(H,21,22)