2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)sulfanyl]propanoic acid Openeye Name: 2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)sulfanyl]propanoic acid CAS Name: 2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)thio]propanoic acid IUPAC Name: 2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)sulfanyl]propanoic acid Traditional Name: 2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)thio]propionic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=C(C=CC3=NC2=NN1)OC)SC(C)C(=O)O

Isomeric SMILES

CC1=C2C(=C3C=C(C=CC3=NC2=NN1)OC)SC(C)C(=O)O

InChI

InChI=1S/C15H15N3O3S/c1-7-12-13(22-8(2)15(19)20)10-6-9(21-3)4-5-11(10)16-14(12)18-17-7/h4-6,8H,1-3H3,(H,19,20)(H,16,17,18)