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

Systemtic Name: butyl 2-[(6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-2-3-14-29-21(28)16-9-5-7-11-18(16)23-19-12-13-26-20(27)15-8-4-6-10-17(15)24-22(26)25-19/h4-13H,2-3,14H2,1H3,(H,23,24,25,27,28)/p+1