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

Systemtic Name: 5-(4-methoxyphenyl)-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-methoxyphenyl)-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-methoxyphenyl)-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-methoxyphenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-2-pyrrolidino-ethyl)thio]-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCCC4

InChI

InChI=1S/C18H19N5O3S/c1-26-13-6-4-12(5-7-13)23-17(25)14-10-19-21-16(14)20-18(23)27-11-15(24)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,21)