[1-bromanyl-4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl] acetate CAS Name: acetic acid [1-bromo-4-(3,7-dimethyl-2,6-dioxo-1-purinyl)butan-2-yl] ester IUPAC Name: [1-bromo-4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl] ester Formula: C13H17BrN4O4 MolecularWeight: 373.20248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C13H17BrN4O4/c1-8(19)22-9(6-14)4-5-18-12(20)10-11(15-7-16(10)2)17(3)13(18)21/h7,9H,4-6H2,1-3H3