methyl 2-[3-[[6-azanyl-2-(butylamino)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(butylamino)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(butylamino)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(butylamino)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C19H24N6O2 MolecularWeight: 368.43286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C19H24N6O2/c1-3-4-8-21-19-23-17(20)16-18(24-19)25(12-22-16)11-14-7-5-6-13(9-14)10-15(26)27-2/h5-7,9,12H,3-4,8,10-11H2,1-2H3,(H3,20,21,23,24)