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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3S/c27-16(23-19(29)22-13-7-3-1-4-8-13)12-30-20-24-17-15(18(28)25-20)11-21-26(17)14-9-5-2-6-10-14/h2,5-6,9-11,13,21H,1,3-4,7-8,12H2,(H2,22,23,27,29)