methyl 2-[6-azanyl-8-bromanyl-9-(phenylmethyl)purin-2-yl]oxyethanoate

Systemtic Name: methyl 2-[6-azanyl-8-bromanyl-9-(phenylmethyl)purin-2-yl]oxyethanoate Openeye Name: methyl 2-(6-amino-9-benzyl-8-bromo-purin-2-yl)oxyacetate CAS Name: 2-[[6-amino-8-bromo-9-(phenylmethyl)-2-purinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-(6-amino-9-benzyl-8-bromopurin-2-yl)oxyacetate Traditional Name: 2-(6-amino-9-benzyl-8-bromo-purin-2-yl)oxyacetic acid methyl ester Formula: C15H14BrN5O3 MolecularWeight: 392.20736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)COC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C15H14BrN5O3/c1-23-10(22)8-24-15-19-12(17)11-13(20-15)21(14(16)18-11)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,17,19,20)