butyl 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoate

Systemtic Name: butyl 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoate Openeye Name: butyl 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetate CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)acetic acid butyl ester IUPAC Name: butyl 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetate Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetic acid butyl ester Formula: C13H17BrN4O4 MolecularWeight: 373.20248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

Isomeric SMILES

CCCCOC(=O)CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

InChI

InChI=1S/C13H17BrN4O4/c1-4-5-6-22-8(19)7-18-10-9(15-12(18)14)11(20)17(3)13(21)16(10)2/h4-7H2,1-3H3