[4-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]phenyl] ethanoate

Systemtic Name: [4-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]phenyl] ethanoate Openeye Name: [4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]phenyl] acetate CAS Name: acetic acid [4-[(6-amino-8-bromo-2-butoxy-9-purinyl)methyl]phenyl] ester IUPAC Name: [4-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]phenyl] acetate Traditional Name: acetic acid [4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]phenyl] ester Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)OC(=O)C)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)OC(=O)C)Br

InChI

InChI=1S/C18H20BrN5O3/c1-3-4-9-26-18-22-15(20)14-16(23-18)24(17(19)21-14)10-12-5-7-13(8-6-12)27-11(2)25/h5-8H,3-4,9-10H2,1-2H3,(H2,20,22,23)