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

Systemtic Name: 6-(dimethylamino)hexyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: 6-(dimethylamino)hexyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid 6-(dimethylamino)hexyl ester IUPAC Name: 6-(dimethylamino)hexyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid 6-(dimethylamino)hexyl ester Formula: C26H38N6O4 MolecularWeight: 498.61772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OCCCCCCN(C)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OCCCCCCN(C)C

InChI

InChI=1S/C26H38N6O4/c1-4-5-14-36-25-29-23(27)22-24(30-25)32(26(34)28-22)18-20-12-10-11-19(16-20)17-21(33)35-15-9-7-6-8-13-31(2)3/h10-12,16H,4-9,13-15,17-18H2,1-3H3,(H,28,34)(H2,27,29,30)