methyl 6-[[3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxo-quinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylate CAS Name: 6-[[3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-keto-quinazolin-3-yl)propanoyl]amino]nicotinic acid methyl ester Formula: C29H34N4O6S MolecularWeight: 566.66846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCCC2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)C5CCCC5

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCCC2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)C5CCCC5

InChI

InChI=1S/C29H34N4O6S/c1-39-29(36)20-11-14-26(30-17-20)32-27(34)25(15-19-7-3-2-4-8-19)33-18-31-24-16-22(12-13-23(24)28(33)35)40(37,38)21-9-5-6-10-21/h11-14,16-19,21,25H,2-10,15H2,1H3,(H,30,32,34)