2-azanyl-9-[(1-oxidanyl-3-phenylmethoxy-propoxy)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1-oxidanyl-3-phenylmethoxy-propoxy)methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3-benzyloxy-1-hydroxy-propoxy)methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-hydroxy-3-phenylmethoxypropoxy)methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-hydroxy-3-phenylmethoxypropoxy)methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3-benzoxy-1-hydroxy-propoxy)methyl]-3H-purin-6-one Formula: C16H19N5O4 MolecularWeight: 345.35316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCC(O)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCCC(O)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H19N5O4/c17-16-19-14-13(15(23)20-16)18-9-21(14)10-25-12(22)6-7-24-8-11-4-2-1-3-5-11/h1-5,9,12,22H,6-8,10H2,(H3,17,19,20,23)