[4-(2-azanylpurin-9-yl)-2-(hydroxymethyl)butyl] butanoate

Systemtic Name: [4-(2-azanylpurin-9-yl)-2-(hydroxymethyl)butyl] butanoate Openeye Name: [4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] butanoate CAS Name: butanoic acid [4-(2-amino-9-purinyl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] butanoate Traditional Name: butyric acid [4-(2-aminopurin-9-yl)-2-methylol-butyl] ester Formula: C14H21N5O3 MolecularWeight: 307.34824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)CO

Isomeric SMILES

CCCC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)CO

InChI

InChI=1S/C14H21N5O3/c1-2-3-12(21)22-8-10(7-20)4-5-19-9-17-11-6-16-14(15)18-13(11)19/h6,9-10,20H,2-5,7-8H2,1H3,(H2,15,16,18)