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

Systemtic Name: 4-(dimethylamino)butyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: 4-(dimethylamino)butyl 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 4-(dimethylamino)butyl ester IUPAC Name: 4-(dimethylamino)butyl 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 4-(dimethylamino)butyl ester Formula: C24H34N6O4 MolecularWeight: 470.56456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O4/c1-4-5-12-34-23-27-21(25)20-22(28-23)30(24(32)26-20)16-18-10-8-9-17(14-18)15-19(31)33-13-7-6-11-29(2)3/h8-10,14H,4-7,11-13,15-16H2,1-3H3,(H,26,32)(H2,25,27,28)