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

Systemtic Name: methyl 2-[[6-azanyl-8-bromanyl-9-(phenylmethyl)purin-2-yl]amino]ethanoate Openeye Name: methyl 2-[(6-amino-9-benzyl-8-bromo-purin-2-yl)amino]acetate CAS Name: 2-[[6-amino-8-bromo-9-(phenylmethyl)-2-purinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(6-amino-9-benzyl-8-bromopurin-2-yl)amino]acetate Traditional Name: 2-[(6-amino-9-benzyl-8-bromo-purin-2-yl)amino]acetic acid methyl ester Formula: C15H15BrN6O2 MolecularWeight: 391.2226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)CNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C15H15BrN6O2/c1-24-10(23)7-18-15-20-12(17)11-13(21-15)22(14(16)19-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,17,18,20,21)