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

Systemtic Name: 5-methoxy-3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid Openeye Name: 5-methoxy-3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid CAS Name: 5-methoxy-3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]-1H-indole-2-carboxylic acid IUPAC Name: 5-methoxy-3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanyl]-1H-indole-2-carboxylic acid Traditional Name: 5-methoxy-3-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]-1H-indole-2-carboxylic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN=C1SC2=C(NC3=C2C=C(C=C3)OC)C(=O)O

Isomeric SMILES

CN1CCCN=C1SC2=C(NC3=C2C=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C15H17N3O3S/c1-18-7-3-6-16-15(18)22-13-10-8-9(21-2)4-5-11(10)17-12(13)14(19)20/h4-5,8,17H,3,6-7H2,1-2H3,(H,19,20)