methyl 3-butyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-(2-morpholino-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[(2-keto-2-morpholino-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCOCC3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O5S/c1-3-4-7-23-18(25)15-6-5-14(19(26)27-2)12-16(15)21-20(23)29-13-17(24)22-8-10-28-11-9-22/h5-6,12H,3-4,7-11,13H2,1-2H3