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

Systemtic Name: methyl 2-[3-[[6-azanyl-8-oxidanylidene-2-(pyridin-3-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-oxo-2-(3-pyridylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-oxo-2-(3-pyridinylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-oxo-2-(pyridin-3-ylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-(3-pyridylmethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O4/c1-30-16(28)9-13-4-2-5-14(8-13)11-27-19-17(24-21(27)29)18(22)25-20(26-19)31-12-15-6-3-7-23-10-15/h2-8,10H,9,11-12H2,1H3,(H,24,29)(H2,22,25,26)