(phenylmethyl) 2-(1-oxidanylidene-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(1-oxidanylidene-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)ethanoate Openeye Name: benzyl 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetate CAS Name: 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetate Traditional Name: 2-(1-keto-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid benzyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C17H16N4O3/c22-14(24-10-12-5-2-1-3-6-12)9-20-11-18-16-15(17(20)23)21-8-4-7-13(21)19-16/h1-3,5-6,11H,4,7-10H2