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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)C(C)C

Isomeric SMILES

CCCCCCCCOC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)C(C)C

InChI

InChI=1S/C17H26N4O4/c1-4-5-6-7-8-9-10-25-17(24)21-13-11-18-15(22)19-14(13)20(12(2)3)16(21)23/h11-12H,4-10H2,1-3H3,(H,18,19,22)