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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-hydroxyethyloxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-hydroxyethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-hydroxyethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCCO

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)OCCO

InChI

InChI=1S/C17H19N5O4/c1-25-13(24)8-11-3-2-4-12(7-11)9-22-10-19-14-15(18)20-17(21-16(14)22)26-6-5-23/h2-4,7,10,23H,5-6,8-9H2,1H3,(H2,18,20,21)