methyl 3-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(3-chloro-4-morpholino-anilino)-2-oxo-ethyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-[3-chloro-4-(4-morpholinyl)anilino]-2-oxoethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[2-(3-chloro-4-morpholino-anilino)-2-keto-ethyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=C(C=C3)N4CCOCC4)Cl

InChI

InChI=1S/C22H21ClN4O5/c1-31-22(30)14-2-4-16-18(10-14)24-13-27(21(16)29)12-20(28)25-15-3-5-19(17(23)11-15)26-6-8-32-9-7-26/h2-5,10-11,13H,6-9,12H2,1H3,(H,25,28)