2-(1H-indol-3-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-(1H-indol-3-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-(1H-indol-3-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-(1H-indol-3-ylmethyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C17H13N3O3S/c1-8-13-15(21)19-12(20-16(13)24-14(8)17(22)23)6-9-7-18-11-5-3-2-4-10(9)11/h2-5,7,18H,6H2,1H3,(H,22,23)(H,19,20,21)