3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]-1H-indole-2-carboxylic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN=C1SC2=C(NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1CCCN=C1SC2=C(NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H15N3O2S/c1-17-8-4-7-15-14(17)20-12-9-5-2-3-6-10(9)16-11(12)13(18)19/h2-3,5-6,16H,4,7-8H2,1H3,(H,18,19)