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

Systemtic Name: ethyl 2-[2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]ethanoate Openeye Name: ethyl 2-(7-benzyl-2,6-dioxo-purin-3-yl)acetate CAS Name: 2-[2,6-dioxo-7-(phenylmethyl)-3-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-benzyl-2,6-dioxopurin-3-yl)acetate Traditional Name: 2-(7-benzyl-2,6-diketo-purin-3-yl)acetic acid ethyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4/c1-2-24-12(21)9-20-14-13(15(22)18-16(20)23)19(10-17-14)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,22,23)