methyl 6-chloranyl-2-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3-(2-phenylethanoylamino)-1H-quinazoline-2-carboxylate

Systemtic Name: methyl 6-chloranyl-2-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3-(2-phenylethanoylamino)-1H-quinazoline-2-carboxylate Openeye Name: methyl 6-chloro-2-(2-methoxy-2-oxo-ethyl)-4-oxo-3-[(2-phenylacetyl)amino]-1H-quinazoline-2-carboxylate CAS Name: 6-chloro-2-(2-methoxy-2-oxoethyl)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1H-quinazoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-(2-methoxy-2-oxoethyl)-4-oxo-3-[(2-phenylacetyl)amino]-1H-quinazoline-2-carboxylate Traditional Name: 6-chloro-4-keto-2-(2-keto-2-methoxy-ethyl)-3-[(2-phenylacetyl)amino]-1H-quinazoline-2-carboxylic acid methyl ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(NC2=C(C=C(C=C2)Cl)C(=O)N1NC(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)CC1(NC2=C(C=C(C=C2)Cl)C(=O)N1NC(=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20ClN3O6/c1-30-18(27)12-21(20(29)31-2)23-16-9-8-14(22)11-15(16)19(28)25(21)24-17(26)10-13-6-4-3-5-7-13/h3-9,11,23H,10,12H2,1-2H3,(H,24,26)