[1-bromanyl-13-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tridecan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-13-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tridecan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-12-(3,7-dimethyl-2,6-dioxo-purin-1-yl)dodecyl] acetate CAS Name: acetic acid [1-bromo-13-(3,7-dimethyl-2,6-dioxo-1-purinyl)tridecan-2-yl] ester IUPAC Name: [1-bromo-13-(3,7-dimethyl-2,6-dioxopurin-1-yl)tridecan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-12-(2,6-diketo-3,7-dimethyl-purin-1-yl)dodecyl] ester Formula: C22H35BrN4O4 MolecularWeight: 499.4417

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C22H35BrN4O4/c1-17(28)31-18(15-23)13-11-9-7-5-4-6-8-10-12-14-27-21(29)19-20(24-16-25(19)2)26(3)22(27)30/h16,18H,4-15H2,1-3H3