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

Systemtic Name: methyl 6-[[2-(7-cyclopentylsulfonyl-4-oxidanylidene-quinazolin-3-yl)-3-(oxolan-2-yl)propanoyl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-(7-cyclopentylsulfonyl-4-oxo-quinazolin-3-yl)-3-tetrahydrofuran-2-yl-propanoyl]amino]pyridine-3-carboxylate CAS Name: 6-[[2-(7-cyclopentylsulfonyl-4-oxo-3-quinazolinyl)-1-oxo-3-(2-oxolanyl)propyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)-3-(oxolan-2-yl)propanoyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[2-(7-cyclopentylsulfonyl-4-keto-quinazolin-3-yl)-3-(tetrahydrofuryl)propanoyl]amino]nicotinic acid methyl ester Formula: C27H30N4O7S MolecularWeight: 554.6147

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCO2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)C5CCCC5

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCO2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)C5CCCC5

InChI

InChI=1S/C27H30N4O7S/c1-37-27(34)17-8-11-24(28-15-17)30-25(32)23(13-18-5-4-12-38-18)31-16-29-22-14-20(9-10-21(22)26(31)33)39(35,36)19-6-2-3-7-19/h8-11,14-16,18-19,23H,2-7,12-13H2,1H3,(H,28,30,32)