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

Systemtic Name: 6-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-1-methyl-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:

CC(C(=O)N1CCCCCC1)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2S/c1-14(19(27)24-11-7-2-3-8-12-24)28-20-22-17-16(18(26)23-20)13-21-25(17)15-9-5-4-6-10-15/h4-6,9-10,13-14,21H,2-3,7-8,11-12H2,1H3