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

Systemtic Name: ethyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: ethyl 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)butyric acid ethyl ester Formula: C12H15BrN4O4 MolecularWeight: 359.1759

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCC(C(=O)OCC)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H15BrN4O4/c1-4-6(10(19)21-5-2)17-7-8(14-11(17)13)16(3)12(20)15-9(7)18/h6H,4-5H2,1-3H3,(H,15,18,20)