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

Systemtic Name: 2-dimethylaminoethyl 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-4-5-10-32-21-25-19(23)18-20(26-21)28(22(30)24-18)14-16-8-6-7-15(12-16)13-17(29)31-11-9-27(2)3/h6-8,12H,4-5,9-11,13-14H2,1-3H3,(H,24,30)(H2,23,25,26)