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

Systemtic Name: ethyl 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: ethyl 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetic acid ethyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC

InChI

InChI=1S/C18H20N4O4/c1-3-20-12-19-16-15(20)17(24)22(11-14(23)26-4-2)18(25)21(16)10-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3