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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OC(C)C

Isomeric SMILES

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OC(C)C

InChI

InChI=1S/C12H16N4O4/c1-6(2)15-9-8(5-13-10(17)14-9)16(11(15)18)12(19)20-7(3)4/h5-7H,1-4H3,(H,13,14,17)