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

Systemtic Name: propyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate Openeye Name: propyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid propyl ester IUPAC Name: propyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate Traditional Name: 9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid propyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4/c1-4-5-20-12(19)16-8-6-13-10(17)14-9(8)15(7(2)3)11(16)18/h6-7H,4-5H2,1-3H3,(H,13,14,17)