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

Systemtic Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(3-hydroxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c25-14-7-5-6-13(10-14)16(18(26)23-8-3-1-2-4-9-23)24-12-20-17-15(19(24)27)11-21-22-17/h5-7,10-12,16,25H,1-4,8-9H2,(H,21,22)