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

Systemtic Name: methyl 2-[3-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-ethanoyl-amino]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[acetyl-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]amino]methyl]phenyl]acetate CAS Name: 2-[3-[[acetyl-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]amino]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[acetyl-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]amino]methyl]phenyl]acetate Traditional Name: 2-[3-[[acetyl-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]amino]methyl]phenyl]acetic acid methyl ester Formula: C24H32N6O5 MolecularWeight: 484.54808

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O5/c1-4-5-12-35-23-27-21(25)20-22(28-23)30(24(33)26-20)11-7-10-29(16(2)31)15-18-9-6-8-17(13-18)14-19(32)34-3/h6,8-9,13H,4-5,7,10-12,14-15H2,1-3H3,(H,26,33)(H2,25,27,28)