6-[[(2S)-3-cyclohexyl-2-(6-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide

Systemtic Name: 6-[[(2S)-3-cyclohexyl-2-(6-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide Openeye Name: 6-[[(2S)-3-cyclohexyl-2-(6-methylsulfonyl-4-oxo-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide CAS Name: 6-[[(2S)-3-cyclohexyl-2-(6-methylsulfonyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-pyridinecarboxamide IUPAC Name: 6-[[(2S)-3-cyclohexyl-2-(6-methylsulfonyl-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide Traditional Name: 6-[[(2S)-3-cyclohexyl-2-(4-keto-6-mesyl-quinazolin-3-yl)propanoyl]amino]nicotinamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=CN(C2=O)C(CC3CCCCC3)C(=O)NC4=NC=C(C=C4)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=CN(C2=O)[C@@H](CC3CCCCC3)C(=O)NC4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C24H27N5O5S/c1-35(33,34)17-8-9-19-18(12-17)24(32)29(14-27-19)20(11-15-5-3-2-4-6-15)23(31)28-21-10-7-16(13-26-21)22(25)30/h7-10,12-15,20H,2-6,11H2,1H3,(H2,25,30)(H,26,28,31)/t20-/m0/s1