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

Systemtic Name: 1-(4-methylphenyl)-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-2-pyrrolidino-ethyl)thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCCC4

InChI

InChI=1S/C18H19N5O2S/c1-12-4-6-13(7-5-12)23-16-14(10-19-23)17(25)21-18(20-16)26-11-15(24)22-8-2-3-9-22/h4-7,10,19H,2-3,8-9,11H2,1H3