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

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-(2-hydroxyethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

InChI=1S/C15H21N5O3S/c21-8-7-20-13-11(9-16-20)14(23)18-15(17-13)24-10-12(22)19-5-3-1-2-4-6-19/h9,16,21H,1-8,10H2