[[[4-[(3-bromophenyl)amino]quinazolin-6-yl]diazenyl]-methyl-amino]methyl ethanoate

Systemtic Name: [[[4-[(3-bromophenyl)amino]quinazolin-6-yl]diazenyl]-methyl-amino]methyl ethanoate Openeye Name: [[4-(3-bromoanilino)quinazolin-6-yl]azo-methyl-amino]methyl acetate CAS Name: acetic acid [[4-(3-bromoanilino)-6-quinazolinyl]azo-methylamino]methyl ester IUPAC Name: [[[4-(3-bromoanilino)quinazolin-6-yl]diazenyl]-methylamino]methyl acetate Traditional Name: acetic acid [[4-(3-bromoanilino)quinazolin-6-yl]azo-methyl-amino]methyl ester Formula: C18H17BrN6O2 MolecularWeight: 429.27058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN6O2/c1-12(26)27-11-25(2)24-23-15-6-7-17-16(9-15)18(21-10-20-17)22-14-5-3-4-13(19)8-14/h3-10H,11H2,1-2H3,(H,20,21,22)