ethyl 2-[4-[6-azanyl-4-[(3-bromophenyl)amino]quinazolin-7-yl]oxybutyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[4-[6-azanyl-4-[(3-bromophenyl)amino]quinazolin-7-yl]oxybutyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[4-[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxybutyl-methyl-amino]acetate CAS Name: 2-[4-[[6-amino-4-(3-bromoanilino)-7-quinazolinyl]oxy]butyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxybutyl-methylamino]acetate Traditional Name: 2-[4-[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxybutyl-methyl-amino]acetic acid ethyl ester Formula: C23H28BrN5O3 MolecularWeight: 502.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)N

Isomeric SMILES

CCOC(=O)CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)N

InChI

InChI=1S/C23H28BrN5O3/c1-3-31-22(30)14-29(2)9-4-5-10-32-21-13-20-18(12-19(21)25)23(27-15-26-20)28-17-8-6-7-16(24)11-17/h6-8,11-13,15H,3-5,9-10,14,25H2,1-2H3,(H,26,27,28)