1-[(5-methyl-1,3-thiazol-2-yl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(5-methyl-1,3-thiazol-2-yl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[(5-methylthiazol-2-yl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[(5-methyl-2-thiazolyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(5-methyl-1,3-thiazol-2-yl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[(5-methylthiazol-2-yl)amino]isoquinoline-3-carboxylic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CN=C(S1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H11N3O2S/c1-8-7-15-14(20-8)17-12-10-5-3-2-4-9(10)6-11(16-12)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,17)