methyl 2-[3-[[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylamino]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butylamino]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]methyl]phenyl]acetate CAS Name: 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butylamino]methyl]phenyl]acetate Traditional Name: 2-[3-[[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butylamino]methyl]phenyl]acetic acid methyl ester Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNCC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCNCC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C23H32N6O4/c1-3-4-12-33-22-27-20(24)19-21(28-22)29(23(31)26-19)11-6-5-10-25-15-17-9-7-8-16(13-17)14-18(30)32-2/h7-9,13,25H,3-6,10-12,14-15H2,1-2H3,(H,26,31)(H2,24,27,28)