2-azanyl-9-[3,4-bis(oxidanyl)-5-(propoxymethoxymethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3,4-bis(oxidanyl)-5-(propoxymethoxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(propoxymethoxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(propoxymethoxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(propoxymethoxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[3,4-dihydroxy-5-(propoxymethoxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C14H21N5O6 MolecularWeight: 355.34644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CCCOCOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C14H21N5O6/c1-2-3-23-6-24-4-7-9(20)10(21)13(25-7)19-5-16-8-11(19)17-14(15)18-12(8)22/h5,7,9-10,13,20-21H,2-4,6H2,1H3,(H3,15,17,18,22)