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

Systemtic Name: 1-(2-methoxyphenyl)-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-methoxyphenyl)-6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-methoxyphenyl)-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-methoxyphenyl)-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-keto-2-piperidino-ethyl)thio]-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCCCC4

InChI

InChI=1S/C19H21N5O3S/c1-27-15-8-4-3-7-14(15)24-17-13(11-20-24)18(26)22-19(21-17)28-12-16(25)23-9-5-2-6-10-23/h3-4,7-8,11,20H,2,5-6,9-10,12H2,1H3