3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C23H27BrN5O2+ MolecularWeight: 485.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C23H26BrN5O2/c1-2-27-11-13-28(14-12-27)21-6-4-3-5-20(21)26-22(30)9-10-29-16-25-19-8-7-17(24)15-18(19)23(29)31/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)/p+1