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

Systemtic Name: 4-(dimethylamino)butyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-4-methoxy-phenyl]ethanoate Openeye Name: 4-(dimethylamino)butyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxy-phenyl]acetate CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxyphenyl]acetic acid 4-(dimethylamino)butyl ester IUPAC Name: 4-(dimethylamino)butyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-4-methoxyphenyl]acetate Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-4-methoxy-phenyl]acetic acid 4-(dimethylamino)butyl ester Formula: C25H36N6O5 MolecularWeight: 500.59054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O5/c1-5-6-12-36-24-28-22(26)21-23(29-24)31(25(33)27-21)16-18-14-17(9-10-19(18)34-4)15-20(32)35-13-8-7-11-30(2)3/h9-10,14H,5-8,11-13,15-16H2,1-4H3,(H,27,33)(H2,26,28,29)