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

Systemtic Name: 5-(2-chlorophenyl)-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-chlorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-6-[(2-keto-2-pyrrolidino-ethyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H16ClN5O2S MolecularWeight: 389.85924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4Cl

InChI

InChI=1S/C17H16ClN5O2S/c18-12-5-1-2-6-13(12)23-16(25)11-9-19-21-15(11)20-17(23)26-10-14(24)22-7-3-4-8-22/h1-2,5-6,9H,3-4,7-8,10H2,(H,19,21)