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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-3-prop-2-enoxy-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[3-allyloxy-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-prop-2-enoxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-prop-2-enoxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 9-(3-allyloxy-4-hydroxy-5-methylol-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=CCOC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

C=CCOC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

InChI=1S/C13H17N5O5/c1-2-3-22-9-8(20)6(4-19)23-12(9)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)