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

Systemtic Name: methyl 2-[3-[(6-azanyl-8-oxidanylidene-2-phenylmethoxy-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-benzyloxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-8-oxo-2-phenylmethoxy-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-8-oxo-2-phenylmethoxy-7H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-benzoxy-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4=CC=CC=C4)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4=CC=CC=C4)N)NC2=O

InChI

InChI=1S/C22H21N5O4/c1-30-17(28)11-15-8-5-9-16(10-15)12-27-20-18(24-22(27)29)19(23)25-21(26-20)31-13-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,24,29)(H2,23,25,26)