4-[[(9-morpholin-4-ylcarbonyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(9-morpholin-4-ylcarbonyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)amino]methyl]benzoic acid Openeye Name: 4-[[[9-(morpholine-4-carbonyl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]amino]methyl]benzoic acid CAS Name: 4-[[[9-[4-morpholinyl(oxo)methyl]-4-oxo-3-pyrido[1,2-a]pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-keto-9-(morpholine-4-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]methyl]benzoic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CN3C2=NC=C(C3=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CN3C2=NC=C(C3=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20N4O5/c26-19(24-8-10-30-11-9-24)16-2-1-7-25-18(16)23-13-17(20(25)27)22-12-14-3-5-15(6-4-14)21(28)29/h1-7,13,22H,8-12H2,(H,28,29)