5-methyl-4-oxidanylidene-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H17N4O3S+ MolecularWeight: 381.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=[N+](C=CN3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=[N+](C=CN3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H16N4O3S/c1-11-15-17(24)21-13(22-18(15)27-16(11)19(25)26)9-14-20-7-8-23(14)10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H2,21,22,24,25,26)/p+1