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

Systemtic Name: 2,8-bis(azanyl)-9-[[1-(4-methoxyphenoxy)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[1-(hydroxymethyl)-2-(4-methoxyphenoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[[1-hydroxy-3-(4-methoxyphenoxy)propan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[[1-hydroxy-3-(4-methoxyphenoxy)propan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-[[2-hydroxy-1-[(4-methoxyphenoxy)methyl]ethoxy]methyl]-3H-purin-6-one Formula: C16H20N6O5 MolecularWeight: 376.3672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2N

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2N

InChI

InChI=1S/C16H20N6O5/c1-25-9-2-4-10(5-3-9)26-7-11(6-23)27-8-22-13-12(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)