2,8-bis(azanyl)-9-[[1-(4-methylphenoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[[1-(4-methylphenoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[1-(hydroxymethyl)-2-(4-methylphenoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[[1-hydroxy-3-(4-methylphenoxy)propan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[[1-hydroxy-3-(4-methylphenoxy)propan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-[[1-methylol-2-(4-methylphenoxy)ethoxy]methyl]-3H-purin-6-one Formula: C16H20N6O4 MolecularWeight: 360.3678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2N

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2N

InChI

InChI=1S/C16H20N6O4/c1-9-2-4-10(5-3-9)25-7-11(6-23)26-8-22-13-12(19-16(22)18)14(24)21-15(17)20-13/h2-5,11,23H,6-8H2,1H3,(H2,18,19)(H3,17,20,21,24)