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

Systemtic Name: methyl 3-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-(2-morpholino-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-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:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCOCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O5S/c1-13(2)11-23-18(25)15-5-4-14(19(26)27-3)10-16(15)21-20(23)29-12-17(24)22-6-8-28-9-7-22/h4-5,10,13H,6-9,11-12H2,1-3H3