ethyl 2-[(6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate

Systemtic Name: ethyl 2-[(6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Openeye Name: ethyl 2-[(6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate CAS Name: 2-[(6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Traditional Name: 2-[(6-keto-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid ethyl ester Formula: C20H17N4O3+ MolecularWeight: 361.37398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC3=[N+](C=C2)C(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC3=[N+](C=C2)C(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H16N4O3/c1-2-27-19(26)14-8-4-6-10-16(14)21-17-11-12-24-18(25)13-7-3-5-9-15(13)22-20(24)23-17/h3-12H,2H2,1H3,(H,21,22,23,25,26)/p+1