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

Systemtic Name: ethyl 6-[(6-azanyl-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate Openeye Name: ethyl 6-[(6-amino-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate CAS Name: 6-[(6-amino-2-butoxy-9-purinyl)methyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-amino-2-butoxypurin-9-yl)methyl]pyridine-2-carboxylate Traditional Name: 6-[(6-amino-2-butoxy-purin-9-yl)methyl]picolinic acid ethyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=N3)C(=O)OCC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=N3)C(=O)OCC

InChI

InChI=1S/C18H22N6O3/c1-3-5-9-27-18-22-15(19)14-16(23-18)24(11-20-14)10-12-7-6-8-13(21-12)17(25)26-4-2/h6-8,11H,3-5,9-10H2,1-2H3,(H2,19,22,23)