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

Systemtic Name: ethyl 2-[6-oxidanylidene-7-(phenylmethyl)purin-1-yl]ethanoate Openeye Name: ethyl 2-(7-benzyl-6-oxo-purin-1-yl)acetate CAS Name: 2-[6-oxo-7-(phenylmethyl)-1-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-benzyl-6-oxopurin-1-yl)acetate Traditional Name: 2-(7-benzyl-6-keto-purin-1-yl)acetic acid ethyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C(C1=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C=NC2=C(C1=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c1-2-23-13(21)9-20-11-18-15-14(16(20)22)19(10-17-15)8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3