[4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate Openeye Name: [4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate CAS Name: propanoic acid [4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-2-(1-oxopropoxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate Traditional Name: propionic acid [4-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-2-(propionyloxymethyl)butyl] ester Formula: C16H25N5O5 MolecularWeight: 367.4002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(CCN1CNC2=C1NC(=NC2=O)N)COC(=O)CC

Isomeric SMILES

CCC(=O)OCC(CCN1CNC2=C1NC(=NC2=O)N)COC(=O)CC

InChI

InChI=1S/C16H25N5O5/c1-3-11(22)25-7-10(8-26-12(23)4-2)5-6-21-9-18-13-14(21)19-16(17)20-15(13)24/h10,18H,3-9H2,1-2H3,(H3,17,19,20,24)