5-[2-oxidanylidene-2-(3-oxidanylpiperidin-1-yl)-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 5-[2-oxidanylidene-2-(3-oxidanylpiperidin-1-yl)-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-(3-hydroxy-1-piperidyl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-(3-hydroxy-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-(3-hydroxypiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-(3-hydroxypiperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4)O

InChI

InChI=1S/C18H19N5O3S/c24-12-7-4-8-22(9-12)17(26)14(11-5-2-1-3-6-11)23-10-19-15-13(18(23)27)16(25)21-20-15/h1-3,5-6,10,12,14,24H,4,7-9H2,(H2,20,21,25)