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

Systemtic Name: ethyl 2-[2,6-bis(oxidanylidene)-1-phenethyl-7-(phenylmethyl)purin-3-yl]ethanoate Openeye Name: ethyl 2-(7-benzyl-2,6-dioxo-1-phenethyl-purin-3-yl)acetate CAS Name: 2-[2,6-dioxo-1-phenethyl-7-(phenylmethyl)-3-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-benzyl-2,6-dioxo-1-phenethylpurin-3-yl)acetate Traditional Name: 2-(7-benzyl-2,6-diketo-1-phenethyl-purin-3-yl)acetic acid ethyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4/c1-2-32-20(29)16-28-22-21(26(17-25-22)15-19-11-7-4-8-12-19)23(30)27(24(28)31)14-13-18-9-5-3-6-10-18/h3-12,17H,2,13-16H2,1H3