4-[[3-methyl-6-morpholin-4-yl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-methyl-6-morpholin-4-yl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]benzoic acid Openeye Name: 4-[(3-methyl-6-morpholino-2,4-dioxo-1H-pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[[3-methyl-6-(4-morpholinyl)-2,4-dioxo-1H-pyrimidin-5-yl]methyl]benzoic acid IUPAC Name: 4-[(3-methyl-6-morpholin-4-yl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(2,4-diketo-3-methyl-6-morpholino-1H-pyrimidin-5-yl)methyl]benzoic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC1=O)N2CCOCC2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C(=O)C(=C(NC1=O)N2CCOCC2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H19N3O5/c1-19-15(21)13(10-11-2-4-12(5-3-11)16(22)23)14(18-17(19)24)20-6-8-25-9-7-20/h2-5H,6-10H2,1H3,(H,18,24)(H,22,23)