ethyl 6-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate

Systemtic Name: ethyl 6-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate Openeye Name: ethyl 6-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate CAS Name: 6-[(6-amino-8-bromo-2-butoxy-9-purinyl)methyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]pyridine-2-carboxylate Traditional Name: 6-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]picolinic acid ethyl ester Formula: C18H21BrN6O3 MolecularWeight: 449.30174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=N3)C(=O)OCC)Br

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=N3)C(=O)OCC)Br

InChI

InChI=1S/C18H21BrN6O3/c1-3-5-9-28-18-23-14(20)13-15(24-18)25(17(19)22-13)10-11-7-6-8-12(21-11)16(26)27-4-2/h6-8H,3-5,9-10H2,1-2H3,(H2,20,23,24)