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

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl propanoate Openeye Name: 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethyl propanoate CAS Name: propanoic acid 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl propanoate Traditional Name: propionic acid 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethyl ester Formula: C11H13BrN4O4 MolecularWeight: 345.14932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCC(=O)OCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H13BrN4O4/c1-3-6(17)20-5-4-16-7-8(13-10(16)12)15(2)11(19)14-9(7)18/h3-5H2,1-2H3,(H,14,18,19)