6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNNC4=N3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=O)C4=CNNC4=N3

InChI

InChI=1S/C19H21N5O2S/c25-16(12-27-19-21-17-15(11-20-23-17)18(26)22-19)24-8-6-14(7-9-24)10-13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H2,20,21,22,23,26)