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

Systemtic Name: 2-azanyl-9-[3-(3-azanylpropanoyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-(3-aminopropanoyl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3-(3-amino-1-oxopropyl)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-(3-aminopropanoyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[3-(3-aminopropanoyl)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C13H18N6O5 MolecularWeight: 338.31922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)C(=O)CCN)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)C(=O)CCN)NC(=NC2=O)N

InChI

InChI=1S/C13H18N6O5/c14-2-1-5(21)7-9(22)6(3-20)24-12(7)19-4-16-8-10(19)17-13(15)18-11(8)23/h4,6-7,9,12,20,22H,1-3,14H2,(H3,15,17,18,23)