9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(prop-2-enylamino)-3H-purin-6-one

Systemtic Name: 9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(prop-2-enylamino)-3H-purin-6-one Openeye Name: 2-(allylamino)-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(prop-2-enylamino)-3H-purin-6-one IUPAC Name: 9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(prop-2-enylamino)-3H-purin-6-one Traditional Name: 2-(allylamino)-9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C13H17N5O4 MolecularWeight: 307.30518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)O

Isomeric SMILES

C=CCNC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)O

InChI

InChI=1S/C13H17N5O4/c1-2-3-14-13-16-11-10(12(21)17-13)15-6-18(11)9-4-7(20)8(5-19)22-9/h2,6-9,19-20H,1,3-5H2,(H2,14,16,17,21)