2-morpholin-4-ylethyl 2-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]carbamoyl]but-3-enoate

Systemtic Name: 2-morpholin-4-ylethyl 2-[[4-[(3-bromophenyl)amino]quinazolin-6-yl]carbamoyl]but-3-enoate Openeye Name: 2-morpholinoethyl 2-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]but-3-enoate CAS Name: 2-[[[4-(3-bromoanilino)-6-quinazolinyl]amino]-oxomethyl]-3-butenoic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 2-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]but-3-enoate Traditional Name: 2-[[4-(3-bromoanilino)quinazolin-6-yl]carbamoyl]but-3-enoic acid 2-morpholinoethyl ester Formula: C25H26BrN5O4 MolecularWeight: 540.40904

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)OCCN4CCOCC4

Isomeric SMILES

C=CC(C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)OCCN4CCOCC4

InChI

InChI=1S/C25H26BrN5O4/c1-2-20(25(33)35-13-10-31-8-11-34-12-9-31)24(32)30-19-6-7-22-21(15-19)23(28-16-27-22)29-18-5-3-4-17(26)14-18/h2-7,14-16,20H,1,8-13H2,(H,30,32)(H,27,28,29)