5-azanyl-3-(3,3-dimethyl-1,4-dihydroisothiochromen-4-yl)imidazole-4-carboxylic acid

Systemtic Name: 5-azanyl-3-(3,3-dimethyl-1,4-dihydroisothiochromen-4-yl)imidazole-4-carboxylic acid Openeye Name: 5-amino-3-(3,3-dimethylisothiochroman-4-yl)imidazole-4-carboxylic acid CAS Name: 5-amino-3-(3,3-dimethyl-1,4-dihydro-2-benzothiopyran-4-yl)-4-imidazolecarboxylic acid IUPAC Name: 5-amino-3-(3,3-dimethyl-1,4-dihydroisothiochromen-4-yl)imidazole-4-carboxylic acid Traditional Name: 5-amino-3-(3,3-dimethylisothiochroman-4-yl)imidazole-4-carboxylic acid Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2CS1)N3C=NC(=C3C(=O)O)N)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2CS1)N3C=NC(=C3C(=O)O)N)C

InChI

InChI=1S/C15H17N3O2S/c1-15(2)12(10-6-4-3-5-9(10)7-21-15)18-8-17-13(16)11(18)14(19)20/h3-6,8,12H,7,16H2,1-2H3,(H,19,20)