2-azanyl-8-[(1-butoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-[(1-butoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-[[1-(butoxymethyl)-2-hydroxy-ethoxy]methyl]-3,7-dihydropurin-6-one CAS Name: 2-amino-8-[(1-butoxy-3-hydroxypropan-2-yl)oxymethyl]-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-[(1-butoxy-3-hydroxypropan-2-yl)oxymethyl]-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-[[1-(butoxymethyl)-2-hydroxy-ethoxy]methyl]-3,7-dihydropurin-6-one Formula: C13H21N5O4 MolecularWeight: 311.33694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CO)OCC1=NC2=C(N1)C(=O)N=C(N2)N

Isomeric SMILES

CCCCOCC(CO)OCC1=NC2=C(N1)C(=O)N=C(N2)N

InChI

InChI=1S/C13H21N5O4/c1-2-3-4-21-6-8(5-19)22-7-9-15-10-11(16-9)17-13(14)18-12(10)20/h8,19H,2-7H2,1H3,(H4,14,15,16,17,18,20)