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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hexanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hexanoate CAS Name: hexanoic 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] hexanoate Traditional Name: hexanoic acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl] ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O4/c1-2-3-4-5-12(23)25-9-11(8-22)6-7-21-10-18-13-14(21)19-16(17)20-15(13)24/h10-11,22H,2-9H2,1H3,(H3,17,19,20,24)