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

Systemtic Name: 5-[2-(4-butyl-4-oxidanyl-piperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[2-(4-butyl-4-hydroxy-1-piperidyl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-(4-butyl-4-hydroxy-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-(4-butyl-4-hydroxypiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-(4-butyl-4-hydroxy-piperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4)O

Isomeric SMILES

CCCCC1(CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C(=O)NN4)O

InChI

InChI=1S/C22H27N5O3S/c1-2-3-9-22(30)10-12-26(13-11-22)20(29)17(15-7-5-4-6-8-15)27-14-23-18-16(21(27)31)19(28)25-24-18/h4-8,14,17,30H,2-3,9-13H2,1H3,(H2,24,25,28)