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

Systemtic Name: 2-methylpropyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate Openeye Name: isobutyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate Traditional Name: 9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid isobutyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-7(2)6-21-13(20)17-9-5-14-11(18)15-10(9)16(8(3)4)12(17)19/h5,7-8H,6H2,1-4H3,(H,14,15,18)