[1-bromanyl-5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)butyl] acetate CAS Name: acetic acid [1-bromo-5-(3,7-dimethyl-2,6-dioxo-1-purinyl)pentan-2-yl] ester IUPAC Name: [1-bromo-5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-4-(2,6-diketo-3,7-dimethyl-purin-1-yl)butyl] ester Formula: C14H19BrN4O4 MolecularWeight: 387.22906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C14H19BrN4O4/c1-9(20)23-10(7-15)5-4-6-19-13(21)11-12(16-8-17(11)2)18(3)14(19)22/h8,10H,4-7H2,1-3H3