3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)-1H-indole-2-carboxylic acid Openeye Name: 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)-1H-indole-2-carboxylic acid CAS Name: 3-(1,4,5,6-tetrahydropyrimidin-2-ylthio)-1H-indole-2-carboxylic acid IUPAC Name: 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)-1H-indole-2-carboxylic acid Traditional Name: 3-(1,4,5,6-tetrahydropyrimidin-2-ylthio)-1H-indole-2-carboxylic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)SC2=C(NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CNC(=NC1)SC2=C(NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C13H13N3O2S/c17-12(18)10-11(19-13-14-6-3-7-15-13)8-4-1-2-5-9(8)16-10/h1-2,4-5,16H,3,6-7H2,(H,14,15)(H,17,18)