2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-(2-phenylethanoyl)purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-(2-phenylethanoyl)purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-(2-phenylacetyl)purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(1-oxo-2-phenylethyl)-6-purinone IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(2-phenylacetyl)purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-(2-phenylacetyl)purin-6-one Formula: C18H19N5O6 MolecularWeight: 401.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N2C(=O)C3=C(N=C2N)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N2C(=O)C3=C(N=C2N)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H19N5O6/c19-18-21-15-12(16(28)23(18)11(25)6-9-4-2-1-3-5-9)20-8-22(15)17-14(27)13(26)10(7-24)29-17/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,19,21)