methyl 2-[3-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-methylsulfonyl-amino]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-methylsulfonyl-amino]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methylsulfonyl-amino]methyl]phenyl]acetate CAS Name: 2-[3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methylsulfonylamino]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methylsulfonylamino]methyl]phenyl]acetate Traditional Name: 2-[3-[[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl-mesyl-amino]methyl]phenyl]acetic acid methyl ester Formula: C23H32N6O6S MolecularWeight: 520.60178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC(=C3)CC(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC(=C3)CC(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C23H32N6O6S/c1-4-5-12-35-22-26-20(24)19-21(27-22)29(23(31)25-19)11-7-10-28(36(3,32)33)15-17-9-6-8-16(13-17)14-18(30)34-2/h6,8-9,13H,4-5,7,10-12,14-15H2,1-3H3,(H,25,31)(H2,24,26,27)