N4-(3-bromophenyl)-N7-(2-dimethylaminoethyl)-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-(3-bromophenyl)-N7-(2-dimethylaminoethyl)-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-(3-bromophenyl)-N7-(2-dimethylaminoethyl)-6-nitro-quinazoline-4,7-diamine CAS Name: N4-(3-bromophenyl)-N7-(2-dimethylaminoethyl)-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-(3-bromophenyl)-7-N-(2-dimethylaminoethyl)-6-nitroquinazoline-4,7-diamine Traditional Name: 2-[[4-(3-bromoanilino)-6-nitro-quinazolin-7-yl]amino]ethyl-dimethyl-amine Formula: C18H19BrN6O2 MolecularWeight: 431.28646

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN6O2/c1-24(2)7-6-20-16-10-15-14(9-17(16)25(26)27)18(22-11-21-15)23-13-5-3-4-12(19)8-13/h3-5,8-11,20H,6-7H2,1-2H3,(H,21,22,23)