ethyl 4-[8-bromanyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butanoate

Systemtic Name: ethyl 4-[8-bromanyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butanoate Openeye Name: ethyl 4-(8-bromo-3,7-dimethyl-2,6-dioxo-purin-1-yl)butanoate CAS Name: 4-(8-bromo-3,7-dimethyl-2,6-dioxo-1-purinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)butanoate Traditional Name: 4-(8-bromo-2,6-diketo-3,7-dimethyl-purin-1-yl)butyric acid ethyl ester Formula: C13H17BrN4O4 MolecularWeight: 373.20248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C

InChI

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