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

Systemtic Name: methyl 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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