2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)ethanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenylazophenyl)acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(4-phenyldiazenylphenyl)acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(4-phenylazophenyl)acetamide Formula: C20H17N7OS MolecularWeight: 403.46028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C20H17N7OS/c1-27-19-17(11-23-27)20(22-13-21-19)29-12-18(28)24-14-7-9-16(10-8-14)26-25-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,28)