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

Systemtic Name: 6-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(1-azocanyl)-2-oxoethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2S/c26-17(24-11-7-2-1-3-8-12-24)14-28-20-22-18-16(19(27)23-20)13-21-25(18)15-9-5-4-6-10-15/h4-6,9-10,13,21H,1-3,7-8,11-12,14H2