N-(3-bromophenyl)-6-nitro-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-nitro-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Openeye Name: N-(3-bromophenyl)-6-nitro-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine CAS Name: N-(3-bromophenyl)-6-nitro-7-[3-(1-piperazinyl)propoxy]-4-quinazolinamine IUPAC Name: N-(3-bromophenyl)-6-nitro-7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine Traditional Name: (3-bromophenyl)-[6-nitro-7-(3-piperazinopropoxy)quinazolin-4-yl]amine Formula: C21H23BrN6O3 MolecularWeight: 487.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN6O3/c22-15-3-1-4-16(11-15)26-21-17-12-19(28(29)30)20(13-18(17)24-14-25-21)31-10-2-7-27-8-5-23-6-9-27/h1,3-4,11-14,23H,2,5-10H2,(H,24,25,26)