methyl 3-[6-azanyl-8-bromanyl-9-[(6-methylpyridin-3-yl)methyl]purin-2-yl]propanoate

Systemtic Name: methyl 3-[6-azanyl-8-bromanyl-9-[(6-methylpyridin-3-yl)methyl]purin-2-yl]propanoate Openeye Name: methyl 3-[6-amino-8-bromo-9-[(6-methyl-3-pyridyl)methyl]purin-2-yl]propanoate CAS Name: 3-[6-amino-8-bromo-9-[(6-methyl-3-pyridinyl)methyl]-2-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-8-bromo-9-[(6-methylpyridin-3-yl)methyl]purin-2-yl]propanoate Traditional Name: 3-[6-amino-8-bromo-9-[(6-methyl-3-pyridyl)methyl]purin-2-yl]propionic acid methyl ester Formula: C16H17BrN6O2 MolecularWeight: 405.24918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CN2C3=C(C(=NC(=N3)CCC(=O)OC)N)N=C2Br

Isomeric SMILES

CC1=NC=C(C=C1)CN2C3=C(C(=NC(=N3)CCC(=O)OC)N)N=C2Br

InChI

InChI=1S/C16H17BrN6O2/c1-9-3-4-10(7-19-9)8-23-15-13(22-16(23)17)14(18)20-11(21-15)5-6-12(24)25-2/h3-4,7H,5-6,8H2,1-2H3,(H2,18,20,21)