2-[[(11aR)-6-oxidanylidene-11,11a-dihydropyrimido[2,1-b]quinazolin-2-yl]amino]benzoic acid

Systemtic Name: 2-[[(11aR)-6-oxidanylidene-11,11a-dihydropyrimido[2,1-b]quinazolin-2-yl]amino]benzoic acid Openeye Name: 2-[[(11aR)-6-oxo-11,11a-dihydropyrimido[2,1-b]quinazolin-2-yl]amino]benzoic acid CAS Name: 2-[[(11aR)-6-oxo-11,11a-dihydropyrimido[2,1-b]quinazolin-2-yl]amino]benzoic acid IUPAC Name: 2-[[(11aR)-6-oxo-11,11a-dihydropyrimido[2,1-b]quinazolin-2-yl]amino]benzoic acid Traditional Name: 2-[[(11aR)-6-keto-11,11a-dihydropyrimido[2,1-b]quinazolin-2-yl]amino]benzoic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N3C=CC(=NC3N2)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N3C=CC(=N[C@H]3N2)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C18H14N4O3/c23-16-11-5-1-3-7-13(11)20-18-21-15(9-10-22(16)18)19-14-8-4-2-6-12(14)17(24)25/h1-10,18,20H,(H,19,21)(H,24,25)/t18-/m1/s1