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

Systemtic Name: hexyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate Openeye Name: hexyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid hexyl ester IUPAC Name: hexyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate Traditional Name: 9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid hexyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4/c1-4-5-6-7-8-23-15(22)19-11-9-16-13(20)17-12(11)18(10(2)3)14(19)21/h9-10H,4-8H2,1-3H3,(H,16,17,20)