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

Systemtic Name: pentyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: pentyl 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)acetic acid pentyl ester IUPAC Name: pentyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetic acid amyl ester Formula: C13H17BrN4O4 MolecularWeight: 373.20248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCOC(=O)CN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H17BrN4O4/c1-3-4-5-6-22-8(19)7-18-9-10(15-12(18)14)17(2)13(21)16-11(9)20/h3-7H2,1-2H3,(H,16,20,21)