methyl 2-[5-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-2-methoxy-phenyl]ethanoate

Systemtic Name: methyl 2-[5-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-2-methoxy-phenyl]ethanoate Openeye Name: methyl 2-[5-[(6-amino-2-butoxy-purin-9-yl)methyl]-2-methoxy-phenyl]acetate CAS Name: 2-[5-[(6-amino-2-butoxy-9-purinyl)methyl]-2-methoxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(6-amino-2-butoxypurin-9-yl)methyl]-2-methoxyphenyl]acetate Traditional Name: 2-[5-[(6-amino-2-butoxy-purin-9-yl)methyl]-2-methoxy-phenyl]acetic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-4-5-8-29-20-23-18(21)17-19(24-20)25(12-22-17)11-13-6-7-15(27-2)14(9-13)10-16(26)28-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,21,23,24)