5-[2-(4-methyl-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-methyl-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-hydroxy-4-methyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[2-(4-hydroxy-4-methyl-1-piperidinyl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[2-(4-hydroxy-4-methyl-piperidino)-2-keto-1-phenyl-ethyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3S/c1-19(27)7-9-23(10-8-19)17(26)14(12-5-3-2-4-6-12)24-11-20-15-13(18(24)28)16(25)22-21-15/h2-6,11,14,27H,7-10H2,1H3,(H2,21,22,25)