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

Systemtic Name: 2-azanyl-9-[3,4-bis(oxidanyl)-5-(prop-2-enoxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[5-(allyloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(prop-2-enoxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(prop-2-enoxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[5-(allyloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C13H17N5O5 MolecularWeight: 323.30458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

C=CCOCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C13H17N5O5/c1-2-3-22-4-6-8(19)9(20)12(23-6)18-5-15-7-10(18)16-13(14)17-11(7)21/h2,5-6,8-9,12,19-20H,1,3-4H2,(H3,14,16,17,21)