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

Systemtic Name: methyl 6-[[2-(7-cyclopropylsulfonyl-4-oxidanylidene-quinazolin-3-yl)-3-(oxolan-2-yl)propanoyl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-(7-cyclopropylsulfonyl-4-oxo-quinazolin-3-yl)-3-tetrahydrofuran-2-yl-propanoyl]amino]pyridine-3-carboxylate CAS Name: 6-[[2-(7-cyclopropylsulfonyl-4-oxo-3-quinazolinyl)-1-oxo-3-(2-oxolanyl)propyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(7-cyclopropylsulfonyl-4-oxoquinazolin-3-yl)-3-(oxolan-2-yl)propanoyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[2-(7-cyclopropylsulfonyl-4-keto-quinazolin-3-yl)-3-(tetrahydrofuryl)propanoyl]amino]nicotinic acid methyl ester Formula: C25H26N4O7S MolecularWeight: 526.56154

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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)C5CC5

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NC(=O)C(CC2CCCO2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)C5CC5

InChI

InChI=1S/C25H26N4O7S/c1-35-25(32)15-4-9-22(26-13-15)28-23(30)21(11-16-3-2-10-36-16)29-14-27-20-12-18(7-8-19(20)24(29)31)37(33,34)17-5-6-17/h4,7-9,12-14,16-17,21H,2-3,5-6,10-11H2,1H3,(H,26,28,30)