2-azanyl-9-[[1-(4-methoxyphenoxy)-3-phenylmethoxy-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[1-(4-methoxyphenoxy)-3-phenylmethoxy-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-(4-methoxyphenoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(4-methoxyphenoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(4-methoxyphenoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-(4-methoxyphenoxy)ethoxy]methyl]-3H-purin-6-one Formula: C23H25N5O5 MolecularWeight: 451.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

COC1=CC=C(C=C1)OCC(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C23H25N5O5/c1-30-17-7-9-18(10-8-17)32-13-19(12-31-11-16-5-3-2-4-6-16)33-15-28-14-25-20-21(28)26-23(24)27-22(20)29/h2-10,14,19H,11-13,15H2,1H3,(H3,24,26,27,29)