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

Systemtic Name: methyl 2-[3-[[6-azanyl-8-bromanyl-2-(pyridin-3-ylmethoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-bromo-2-(3-pyridylmethoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-bromo-2-(3-pyridinylmethoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-bromo-2-(pyridin-3-ylmethoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-bromo-2-(3-pyridylmethoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C21H19BrN6O3 MolecularWeight: 483.31796

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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)N=C2Br

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCC4=CN=CC=C4)N)N=C2Br

InChI

InChI=1S/C21H19BrN6O3/c1-30-16(29)9-13-4-2-5-14(8-13)11-28-19-17(25-20(28)22)18(23)26-21(27-19)31-12-15-6-3-7-24-10-15/h2-8,10H,9,11-12H2,1H3,(H2,23,26,27)