methyl 2-[3-[[6-azanyl-2-(2-hydroxyethyloxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-hydroxyethyloxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-hydroxyethoxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C17H19N5O5 MolecularWeight: 373.36326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCO)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCO)N)NC2=O

InChI

InChI=1S/C17H19N5O5/c1-26-12(24)8-10-3-2-4-11(7-10)9-22-15-13(19-17(22)25)14(18)20-16(21-15)27-6-5-23/h2-4,7,23H,5-6,8-9H2,1H3,(H,19,25)(H2,18,20,21)