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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c1-20-15-12(16(25)21(2)17(20)26)22(9-19-15)8-11(23)27-13(14(18)24)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H2,18,24)