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

Systemtic Name: 1-(azocan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-(azocan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-(1-azocanyl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-(azocan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-(azocan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

Isomeric SMILES

C1CCCN(CCC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

InChI

InChI=1S/C20H23N5OS/c26-19(24-11-7-2-1-3-8-12-24)17(15-9-5-4-6-10-15)25-14-21-18-16(20(25)27)13-22-23-18/h4-6,9-10,13-14,17H,1-3,7-8,11-12H2,(H,22,23)