(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H20N4O6/c1-21-16-14(17(25)22(2)19(21)27)23(11-20-16)10-9-13(24)29-15(18(26)28-3)12-7-5-4-6-8-12/h4-8,11,15H,9-10H2,1-3H3