ethyl (2S,3S)-3-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl (2S,3S)-3-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl (2S,3S)-3-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]oxirane-2-carboxylate CAS Name: (2S,3S)-3-[[[4-(3-bromoanilino)-6-quinazolinyl]amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-3-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C20H17BrN4O4 MolecularWeight: 457.27738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](O1)C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H17BrN4O4/c1-2-28-20(27)17-16(29-17)19(26)25-13-6-7-15-14(9-13)18(23-10-22-15)24-12-5-3-4-11(21)8-12/h3-10,16-17H,2H2,1H3,(H,25,26)(H,22,23,24)/t16-,17-/m0/s1