3-methyl-2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanamide

Systemtic Name: 3-methyl-2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanamide Openeye Name: 3-methyl-2-[(1-phenyl-4-thioxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanamide CAS Name: 3-methyl-2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]butanamide IUPAC Name: 3-methyl-2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanamide Traditional Name: 3-methyl-2-[(1-phenyl-4-thioxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]butyramide Formula: C16H17N5OS2 MolecularWeight: 359.46908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)SC1=NC(=S)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N)SC1=NC(=S)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C16H17N5OS2/c1-9(2)12(13(17)22)24-16-19-14-11(15(23)20-16)8-18-21(14)10-6-4-3-5-7-10/h3-9,12,18H,1-2H3,(H2,17,22)