2-[(5-naphthalen-1-yl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[(5-naphthalen-1-yl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[[5-(1-naphthyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[[5-(1-naphthalenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[(5-naphthalen-1-yl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[[4-keto-5-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H22N6O3S/c30-19(26-17-9-3-4-11-24-21(17)31)13-33-23-27-20-16(12-25-28-20)22(32)29(23)18-10-5-7-14-6-1-2-8-15(14)18/h1-2,5-8,10,12,17H,3-4,9,11,13H2,(H,24,31)(H,25,28)(H,26,30)