butyl 2-[(3-methyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate

Systemtic Name: butyl 2-[(3-methyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Openeye Name: butyl 2-[(3-methyl-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate CAS Name: 2-[(3-methyl-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid butyl ester IUPAC Name: butyl 2-[(3-methyl-6-oxo-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Traditional Name: 2-[(6-keto-3-methyl-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoic acid butyl ester Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=[N+](C=C2C)C(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC2=NC3=[N+](C=C2C)C(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N4O3/c1-3-4-13-30-22(29)17-10-6-8-12-19(17)24-20-15(2)14-27-21(28)16-9-5-7-11-18(16)25-23(27)26-20/h5-12,14H,3-4,13H2,1-2H3,(H,24,25,26,28,29)/p+1