N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]-6-nitro-quinazolin-4-amine

Systemtic Name: N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]-6-nitro-quinazolin-4-amine Openeye Name: N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]-6-nitro-quinazolin-4-amine CAS Name: N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]-6-nitro-4-quinazolinamine IUPAC Name: N-(3-bromophenyl)-7-[4-(dimethylamino)butoxy]-6-nitroquinazolin-4-amine Traditional Name: 4-[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]oxybutyl-dimethyl-amine Formula: C20H22BrN5O3 MolecularWeight: 460.32438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H22BrN5O3/c1-25(2)8-3-4-9-29-19-12-17-16(11-18(19)26(27)28)20(23-13-22-17)24-15-7-5-6-14(21)10-15/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23,24)