3-[2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-[2,4-bis(oxidanylidene)quinazolin-1-yl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: 3-(2,4-dioxo-1-quinazolinyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: 3-(2,4-dioxoquinazolin-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-(2,4-diketoquinazolin-1-yl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

InChI

InChI=1S/C21H24N6O3/c1-25-10-12-26(13-11-25)18-7-6-15(14-22-18)23-19(28)8-9-27-17-5-3-2-4-16(17)20(29)24-21(27)30/h2-7,14H,8-13H2,1H3,(H,23,28)(H,24,29,30)/p+1