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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-ethoxyethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-ethoxyethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCOCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C19H23N5O4/c1-3-27-7-8-28-19-22-17(20)16-18(23-19)24(12-21-16)11-14-6-4-5-13(9-14)10-15(25)26-2/h4-6,9,12H,3,7-8,10-11H2,1-2H3,(H2,20,22,23)