4-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzamide

Systemtic Name: 4-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzamide CAS Name: 4-[[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]benzamide IUPAC Name: 4-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]benzamide Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C19H15N5O2S/c20-16(25)13-8-6-12(7-9-13)11-27-19-22-17-15(18(26)23-19)10-21-24(17)14-4-2-1-3-5-14/h1-10,21H,11H2,(H2,20,25)