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

Systemtic Name: ethyl 2-[(3-methyl-6-oxidanylidene-11H-pyrimido[2,1-b]quinazolin-5-ium-2-yl)amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19N4O3+ MolecularWeight: 375.40056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c1-3-28-20(27)15-9-5-7-11-17(15)22-18-13(2)12-25-19(26)14-8-4-6-10-16(14)23-21(25)24-18/h4-12H,3H2,1-2H3,(H,22,23,24,26,27)/p+1