2-(4-ethylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-keto-1H-quinazoline-7-carboxylate Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-2-18-5-7-19(8-6-18)15-16-12-9-10(14(21)22)3-4-11(12)13(20)17-15/h3-4,9H,2,5-8H2,1H3,(H,21,22)(H,16,17,20)