2-[(3-methylcinnolin-4-yl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-methylcinnolin-4-yl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-methylcinnolin-4-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(3-methyl-4-cinnolinyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-methylcinnolin-4-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-methylcinnolin-4-yl)amino]-4-(methylthio)butyric acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=N1)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=N1)NC(CCSC)C(=O)O

InChI

InChI=1S/C14H17N3O2S/c1-9-13(15-12(14(18)19)7-8-20-2)10-5-3-4-6-11(10)17-16-9/h3-6,12H,7-8H2,1-2H3,(H,15,17)(H,18,19)