N-(4-butylphenyl)-2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C17H19N5O2S/c1-2-3-4-11-5-7-12(8-6-11)19-14(23)10-25-17-20-15-13(9-18-22-15)16(24)21-17/h5-9H,2-4,10H2,1H3,(H,19,23)(H2,18,20,21,22,24)