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

Systemtic Name: 5-(2-ethylphenyl)-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-ethylphenyl)-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-ethylphenyl)-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-ethylphenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-ethylphenyl)-6-[(2-keto-2-pyrrolidino-ethyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCCC4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCCC4

InChI

InChI=1S/C19H21N5O2S/c1-2-13-7-3-4-8-15(13)24-18(26)14-11-20-22-17(14)21-19(24)27-12-16(25)23-9-5-6-10-23/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,20,22)