3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C26H22N6O2S MolecularWeight: 482.55688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C26H22N6O2S/c33-24(29-19-8-10-21(11-9-19)35-17-18-5-4-14-27-15-18)13-12-23-30-25-22(26(34)31-23)16-28-32(25)20-6-2-1-3-7-20/h1-11,14-16,28H,12-13,17H2,(H,29,33)