2-azanyl-9-[(1-oxidanyl-3-phenoxy-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1-oxidanyl-3-phenoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(hydroxymethyl)-2-phenoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-hydroxy-3-phenoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-hydroxy-3-phenoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1-methylol-2-phenoxy-ethoxy)methyl]-3H-purin-6-one Formula: C15H17N5O4 MolecularWeight: 331.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C15H17N5O4/c16-15-18-13-12(14(22)19-15)17-8-20(13)9-24-11(6-21)7-23-10-4-2-1-3-5-10/h1-5,8,11,21H,6-7,9H2,(H3,16,18,19,22)