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

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

Systemtic Name:5-methoxy-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)-1H-indole-2-carboxylic acid
Openeye Name:5-methoxy-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)-1H-indole-2-carboxylic acid
CAS Name:5-methoxy-3-(1,4,5,6-tetrahydropyrimidin-2-ylthio)-1H-indole-2-carboxylic acid
IUPAC Name:5-methoxy-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)-1H-indole-2-carboxylic acid
Traditional Name:5-methoxy-3-(1,4,5,6-tetrahydropyrimidin-2-ylthio)-1H-indole-2-carboxylic acid
Formula: C14H15N3O3S
MolecularWeight: 305.3522
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2SC3=NCCCN3)C(=O)O


Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2SC3=NCCCN3)C(=O)O


InChI

InChI=1S/C14H15N3O3S/c1-20-8-3-4-10-9(7-8)12(11(17-10)13(18)19)21-14-15-5-2-6-16-14/h3-4,7,17H,2,5-6H2,1H3,(H,15,16)(H,18,19)


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