5-[(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)methyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[(6-azanyl-2-butoxy-8-methoxy-purin-9-yl)methyl]pyridine-2-carboxylic acid Openeye Name: 5-[(6-amino-2-butoxy-8-methoxy-purin-9-yl)methyl]pyridine-2-carboxylic acid CAS Name: 5-[(6-amino-2-butoxy-8-methoxy-9-purinyl)methyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]pyridine-2-carboxylic acid Traditional Name: 5-[(6-amino-2-butoxy-8-methoxy-purin-9-yl)methyl]picolinic acid Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O4/c1-3-4-7-27-16-21-13(18)12-14(22-16)23(17(20-12)26-2)9-10-5-6-11(15(24)25)19-8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,24,25)(H2,18,21,22)