6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxo-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[3-cyclohexyl-2-(4-keto-7-mesyl-quinazolin-3-yl)propanoyl]amino]nicotinic acid Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)C(CC3CCCCC3)C(=O)NC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)C(CC3CCCCC3)C(=O)NC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H26N4O6S/c1-35(33,34)17-8-9-18-19(12-17)26-14-28(23(18)30)20(11-15-5-3-2-4-6-15)22(29)27-21-10-7-16(13-25-21)24(31)32/h7-10,12-15,20H,2-6,11H2,1H3,(H,31,32)(H,25,27,29)