ethyl 2,8-bis(oxidanylidene)-9-phenethyl-3H-purine-7-carboxylate

Systemtic Name: ethyl 2,8-bis(oxidanylidene)-9-phenethyl-3H-purine-7-carboxylate Openeye Name: ethyl 2,8-dioxo-9-phenethyl-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-phenethyl-3H-purine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 2,8-dioxo-9-phenethyl-3H-purine-7-carboxylate Traditional Name: 2,8-diketo-9-phenethyl-3H-purine-7-carboxylic acid ethyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4/c1-2-24-16(23)20-12-10-17-14(21)18-13(12)19(15(20)22)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,18,21)