2-[8-iodanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-propyl-ethanamide

Systemtic Name: 2-[8-iodanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-propyl-ethanamide Openeye Name: 2-(8-iodo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-propyl-acetamide CAS Name: 2-(8-iodo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-propylacetamide IUPAC Name: 2-(8-iodo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-propylacetamide Traditional Name: 2-(8-iodo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-propyl-acetamide Formula: C12H16IN5O3 MolecularWeight: 405.19161

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

Isomeric SMILES

CCCNC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

InChI

InChI=1S/C12H16IN5O3/c1-4-5-14-7(19)6-18-9-8(15-11(18)13)10(20)17(3)12(21)16(9)2/h4-6H2,1-3H3,(H,14,19)