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

Systemtic Name: methyl 2-[3-[[2-(3-acetyloxypropoxy)-6-azanyl-8-bromanyl-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[2-(3-acetoxypropoxy)-6-amino-8-bromo-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(3-acetyloxypropoxy)-6-amino-8-bromo-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[2-(3-acetyloxypropoxy)-6-amino-8-bromopurin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(3-acetoxypropoxy)-6-amino-8-bromo-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C20H22BrN5O5 MolecularWeight: 492.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

Isomeric SMILES

CC(=O)OCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC(=C3)CC(=O)OC)Br

InChI

InChI=1S/C20H22BrN5O5/c1-12(27)30-7-4-8-31-20-24-17(22)16-18(25-20)26(19(21)23-16)11-14-6-3-5-13(9-14)10-15(28)29-2/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H2,22,24,25)