[6-azanyl-2-butoxy-9-[(6-chloranylpyridin-3-yl)methyl]purin-8-yl] propanoate

Systemtic Name: [6-azanyl-2-butoxy-9-[(6-chloranylpyridin-3-yl)methyl]purin-8-yl] propanoate Openeye Name: [6-amino-2-butoxy-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] propanoate CAS Name: propanoic acid [6-amino-2-butoxy-9-[(6-chloro-3-pyridinyl)methyl]-8-purinyl] ester IUPAC Name: [6-amino-2-butoxy-9-[(6-chloropyridin-3-yl)methyl]purin-8-yl] propanoate Traditional Name: propionic acid [6-amino-2-butoxy-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] ester Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O3/c1-3-5-8-27-17-23-15(20)14-16(24-17)25(18(22-14)28-13(26)4-2)10-11-6-7-12(19)21-9-11/h6-7,9H,3-5,8,10H2,1-2H3,(H2,20,23,24)