5-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid

Systemtic Name: 5-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid Openeye Name: 5-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid CAS Name: 5-[[2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid IUPAC Name: 5-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid Traditional Name: 5-[[4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl]-7,8,9,10-tetrahydro-6H-cyclohept[b]indole-4-carboxylic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)CN2C3=C(CCCCC3)C4=C2C(=CC=C4)C(=O)O

Isomeric SMILES

CSC1=NC(=O)C=C(N1)CN2C3=C(CCCCC3)C4=C2C(=CC=C4)C(=O)O

InChI

InChI=1S/C20H21N3O3S/c1-27-20-21-12(10-17(24)22-20)11-23-16-9-4-2-3-6-13(16)14-7-5-8-15(18(14)23)19(25)26/h5,7-8,10H,2-4,6,9,11H2,1H3,(H,25,26)(H,21,22,24)