2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-1-yl]ethanamide

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-1-yl]ethanamide Openeye Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-pentyl-purin-1-yl)acetamide CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-pentyl-1-purinyl)acetamide IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-pentylpurin-1-yl)acetamide Traditional Name: 2-(7-amyl-8-bromo-2,6-diketo-3-methyl-purin-1-yl)acetamide Formula: C13H18BrN5O3 MolecularWeight: 372.21772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)N)C

Isomeric SMILES

CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)N)C

InChI

InChI=1S/C13H18BrN5O3/c1-3-4-5-6-18-9-10(16-12(18)14)17(2)13(22)19(11(9)21)7-8(15)20/h3-7H2,1-2H3,(H2,15,20)