(2S)-N-ethyl-2-[8-iodanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)N1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

Isomeric SMILES

CCNC(=O)[C@H](C)N1C2=C(C(=O)N(C(=O)N2C)C)N=C1I

InChI

InChI=1S/C12H16IN5O3/c1-5-14-8(19)6(2)18-9-7(15-11(18)13)10(20)17(4)12(21)16(9)3/h6H,5H2,1-4H3,(H,14,19)/t6-/m0/s1