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

Systemtic Name: 5-(3-chloranyl-2-methyl-phenyl)-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3-chloro-2-methyl-phenyl)-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-chloro-2-methylphenyl)-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-chloro-2-methylphenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-chloro-2-methyl-phenyl)-6-[(2-keto-2-pyrrolidino-ethyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCCC4

InChI

InChI=1S/C18H18ClN5O2S/c1-11-13(19)5-4-6-14(11)24-17(26)12-9-20-22-16(12)21-18(24)27-10-15(25)23-7-2-3-8-23/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,22)