N-(2-cyclopentylsulfanylphenyl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[2-(cyclopentylthio)phenyl]-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3SC4CCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3SC4CCCC4

InChI

InChI=1S/C19H21N5O2S/c1-23-18-14(10-21-23)19(26)24(12-20-18)11-17(25)22-15-8-4-5-9-16(15)27-13-6-2-3-7-13/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,25)