4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbothioic S-acid

Systemtic Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbothioic S-acid Openeye Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbothioic S-acid CAS Name: 4-[[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-piperidinecarbothioic S-acid IUPAC Name: 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbothioic S-acid Traditional Name: 4-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carbothioic S-acid Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)S

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)OC4CCN(CC4)C(=O)S

InChI

InChI=1S/C18H19N5O4S2/c1-29(25,26)14-4-2-12(3-5-14)23-16-15(10-21-23)17(20-11-19-16)27-13-6-8-22(9-7-13)18(24)28/h2-5,10-11,13H,6-9H2,1H3,(H,24,28)