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

Systemtic Name: methyl 4-[(6-azanyl-8-bromanyl-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate Openeye Name: methyl 4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate CAS Name: 4-[(6-amino-8-bromo-2-butoxy-9-purinyl)methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]pyridine-2-carboxylate Traditional Name: 4-[(6-amino-8-bromo-2-butoxy-purin-9-yl)methyl]picolinic acid methyl ester Formula: C17H19BrN6O3 MolecularWeight: 435.27516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN6O3/c1-3-4-7-27-17-22-13(19)12-14(23-17)24(16(18)21-12)9-10-5-6-20-11(8-10)15(25)26-2/h5-6,8H,3-4,7,9H2,1-2H3,(H2,19,22,23)