3-[(2-azanyl-1-butanoyl-6-oxidanylidene-7,8-dihydropurin-9-yl)-propanoyloxy-methoxy]propyl propanoate

Systemtic Name: 3-[(2-azanyl-1-butanoyl-6-oxidanylidene-7,8-dihydropurin-9-yl)-propanoyloxy-methoxy]propyl propanoate Openeye Name: 3-[(2-amino-1-butanoyl-6-oxo-7,8-dihydropurin-9-yl)-propanoyloxy-methoxy]propyl propanoate CAS Name: propanoic acid 3-[[2-amino-6-oxo-1-(1-oxobutyl)-7,8-dihydropurin-9-yl]-(1-oxopropoxy)methoxy]propyl ester IUPAC Name: 3-[(2-amino-1-butanoyl-6-oxo-7,8-dihydropurin-9-yl)-propanoyloxymethoxy]propyl propanoate Traditional Name: propionic acid 3-[(2-amino-1-butyryl-6-keto-7,8-dihydropurin-9-yl)-propionyloxy-methoxy]propyl ester Formula: C19H29N5O7 MolecularWeight: 439.46286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=O)C2=C(N=C1N)N(CN2)C(OCCCOC(=O)CC)OC(=O)CC

Isomeric SMILES

CCCC(=O)N1C(=O)C2=C(N=C1N)N(CN2)C(OCCCOC(=O)CC)OC(=O)CC

InChI

InChI=1S/C19H29N5O7/c1-4-8-12(25)24-17(28)15-16(22-18(24)20)23(11-21-15)19(31-14(27)6-3)30-10-7-9-29-13(26)5-2/h19,21H,4-11H2,1-3H3,(H2,20,22)