methyl 3-[6-azanyl-8-bromanyl-9-[[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl]purin-2-yl]propanoate

Systemtic Name: methyl 3-[6-azanyl-8-bromanyl-9-[[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl]purin-2-yl]propanoate Openeye Name: methyl 3-[6-amino-8-bromo-9-[[3-(2-methoxy-2-oxo-ethyl)phenyl]methyl]purin-2-yl]propanoate CAS Name: 3-[6-amino-8-bromo-9-[[3-(2-methoxy-2-oxoethyl)phenyl]methyl]-2-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-8-bromo-9-[[3-(2-methoxy-2-oxoethyl)phenyl]methyl]purin-2-yl]propanoate Traditional Name: 3-[6-amino-8-bromo-9-[3-(2-keto-2-methoxy-ethyl)benzyl]purin-2-yl]propionic acid methyl ester Formula: C19H20BrN5O4 MolecularWeight: 462.2972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

Isomeric SMILES

COC(=O)CCC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

InChI

InChI=1S/C19H20BrN5O4/c1-28-14(26)7-6-13-22-17(21)16-18(23-13)25(19(20)24-16)10-12-5-3-4-11(8-12)9-15(27)29-2/h3-5,8H,6-7,9-10H2,1-2H3,(H2,21,22,23)