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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-8-propanoyl-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate Openeye Name: [4-(2-amino-6-oxo-8-propanoyl-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate CAS Name: propanoic acid [4-[2-amino-6-oxo-8-(1-oxopropyl)-3H-purin-9-yl]-2-(1-oxopropoxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-8-propanoyl-3H-purin-9-yl)-2-(propanoyloxymethyl)butyl] propanoate Traditional Name: propionic acid [4-(2-amino-6-keto-8-propionyl-3H-purin-9-yl)-2-(propionyloxymethyl)butyl] ester Formula: C19H27N5O6 MolecularWeight: 421.44758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NC2=C(N1CCC(COC(=O)CC)COC(=O)CC)NC(=NC2=O)N

Isomeric SMILES

CCC(=O)C1=NC2=C(N1CCC(COC(=O)CC)COC(=O)CC)NC(=NC2=O)N

InChI

InChI=1S/C19H27N5O6/c1-4-12(25)16-21-15-17(22-19(20)23-18(15)28)24(16)8-7-11(9-29-13(26)5-2)10-30-14(27)6-3/h11H,4-10H2,1-3H3,(H3,20,22,23,28)