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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] propanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] propanoate CAS Name: propanoic acid [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] propanoate Traditional Name: propionic acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl] ester Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CCC(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C13H19N5O4/c1-2-9(20)22-6-8(5-19)3-4-18-7-15-10-11(18)16-13(14)17-12(10)21/h7-8,19H,2-6H2,1H3,(H3,14,16,17,21)