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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN4O4/c1-3-4-7(18)21-6-5-17-8-9(14-11(17)13)16(2)12(20)15-10(8)19/h3-6H2,1-2H3,(H,15,19,20)