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

Systemtic Name: methyl 2-[3-[(6-azanyl-8-bromanyl-2-chloranyl-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-8-bromo-2-chloro-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-8-bromo-2-chloro-9-purinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-8-bromo-2-chloropurin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-8-bromo-2-chloro-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C15H13BrClN5O2 MolecularWeight: 410.65302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)Cl)N)N=C2Br

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)Cl)N)N=C2Br

InChI

InChI=1S/C15H13BrClN5O2/c1-24-10(23)6-8-3-2-4-9(5-8)7-22-13-11(19-14(22)16)12(18)20-15(17)21-13/h2-5H,6-7H2,1H3,(H2,18,20,21)