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

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C13H17N5O2S/c19-10(18-5-3-1-2-4-6-18)8-21-13-15-11-9(7-14-17-11)12(20)16-13/h7H,1-6,8H2,(H2,14,15,16,17,20)