3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-methylbutanoyloxy)methoxy]propyl 3-methylbutanoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-methylbutanoyloxy)methoxy]propyl 3-methylbutanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-methylbutanoyloxy)methoxy]propyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-methyl-1-oxobutoxy)methoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-methylbutanoyloxy)methoxy]propyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-isovaleryloxy-methoxy]propyl ester Formula: C19H31N5O6 MolecularWeight: 425.47934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CC(C)C

InChI

InChI=1S/C19H31N5O6/c1-11(2)8-13(25)28-6-5-7-29-19(30-14(26)9-12(3)4)24-10-21-15-16(24)22-18(20)23-17(15)27/h11-12,19,21H,5-10H2,1-4H3,(H3,20,22,23,27)