2-ethylhexyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate

Systemtic Name: 2-ethylhexyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate Openeye Name: 2-ethylhexyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate Traditional Name: 9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid 2-ethylhexyl ester Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)C(C)C

Isomeric SMILES

CCCCC(CC)COC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)C(C)C

InChI

InChI=1S/C17H26N4O4/c1-5-7-8-12(6-2)10-25-17(24)21-13-9-18-15(22)19-14(13)20(11(3)4)16(21)23/h9,11-12H,5-8,10H2,1-4H3,(H,18,19,22)