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

Systemtic Name: methyl 4-[(6-azanyl-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate Openeye Name: methyl 4-[(6-amino-2-butoxy-purin-9-yl)methyl]pyridine-2-carboxylate CAS Name: 4-[(6-amino-2-butoxy-9-purinyl)methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(6-amino-2-butoxypurin-9-yl)methyl]pyridine-2-carboxylate Traditional Name: 4-[(6-amino-2-butoxy-purin-9-yl)methyl]picolinic acid methyl ester Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=NC=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=NC=C3)C(=O)OC

InChI

InChI=1S/C17H20N6O3/c1-3-4-7-26-17-21-14(18)13-15(22-17)23(10-20-13)9-11-5-6-19-12(8-11)16(24)25-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,21,22)