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

Systemtic Name: ethyl 2-[1-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-3-yl]ethanoate Openeye Name: ethyl 2-(7-benzyl-1-methyl-2,6-dioxo-purin-3-yl)acetate CAS Name: 2-[1-methyl-2,6-dioxo-7-(phenylmethyl)-3-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-benzyl-1-methyl-2,6-dioxopurin-3-yl)acetate Traditional Name: 2-(7-benzyl-2,6-diketo-1-methyl-purin-3-yl)acetic acid ethyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O4/c1-3-25-13(22)10-21-15-14(16(23)19(2)17(21)24)20(11-18-15)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3