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

Systemtic Name: methyl 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxidanylidene-quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxo-quinazolin-3-yl]propanoyl]amino]pyridine-3-carboxylate CAS Name: 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxo-3-quinazolinyl]-1-oxopropyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-oxoquinazolin-3-yl]propanoyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[3-cyclohexyl-2-[7-(cyclopropylmethylsulfonyl)-4-keto-quinazolin-3-yl]propanoyl]amino]nicotinic acid methyl ester Formula: C28H32N4O6S MolecularWeight: 552.64188

Click to see the large picture

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)CC5CC5

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCCC2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)CC5CC5

InChI

InChI=1S/C28H32N4O6S/c1-38-28(35)20-9-12-25(29-15-20)31-26(33)24(13-18-5-3-2-4-6-18)32-17-30-23-14-21(10-11-22(23)27(32)34)39(36,37)16-19-7-8-19/h9-12,14-15,17-19,24H,2-8,13,16H2,1H3,(H,29,31,33)