N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[4-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-phenylsulfanyl-butanamide CAS Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-(phenylthio)butanamide IUPAC Name: N-[4-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-phenylsulfanylbutanamide Traditional Name: N-[4-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-(phenylthio)butyramide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(C=C2)N3C4=NC=NC(=O)C4=CN3

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(C=C2)N3C4=NC=NC(=O)C4=CN3

InChI

InChI=1S/C21H19N5O2S/c27-19(7-4-12-29-17-5-2-1-3-6-17)25-15-8-10-16(11-9-15)26-20-18(13-24-26)21(28)23-14-22-20/h1-3,5-6,8-11,13-14,24H,4,7,12H2,(H,25,27)