5-(2-chlorophenyl)-6-(1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-chlorophenyl)-6-(1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-6-[1-(pyrrolidine-1-carbonyl)propylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-6-[[1-oxo-1-(1-pyrrolidinyl)butan-2-yl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-chlorophenyl)-6-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-6-[1-(pyrrolidine-1-carbonyl)propylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)SC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

Isomeric SMILES

CCC(C(=O)N1CCCC1)SC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

InChI

InChI=1S/C19H20ClN5O2S/c1-2-15(18(27)24-9-5-6-10-24)28-19-22-16-12(11-21-23-16)17(26)25(19)14-8-4-3-7-13(14)20/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,21,23)