6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O2S MolecularWeight: 383.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2S/c25-16(23-10-6-1-2-7-11-23)13-27-19-21-17-15(12-20-22-17)18(26)24(19)14-8-4-3-5-9-14/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,20,22)