1-tert-butyl-3-methyl-5-(sulfanylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1-tert-butyl-3-methyl-5-(sulfanylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1-tert-butyl-3-methyl-5-(sulfanylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1-tert-butyl-5-(mercaptomethyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1-tert-butyl-3-methyl-5-(sulfanylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-tert-butyl-5-(mercaptomethyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)N=C2N(N1)C(C)(C)C)CS

Isomeric SMILES

CC1=C2C=C(C(=O)N=C2N(N1)C(C)(C)C)CS

InChI

InChI=1S/C12H17N3OS/c1-7-9-5-8(6-17)11(16)13-10(9)15(14-7)12(2,3)4/h5,14,17H,6H2,1-4H3