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

Systemtic Name: 2,8-bis(azanyl)-9-[(1-ethoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[1-(ethoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[(1-ethoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[(1-ethoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-[[1-(ethoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C11H18N6O4 MolecularWeight: 298.29842

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1N

Isomeric SMILES

CCOCC(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1N

InChI

InChI=1S/C11H18N6O4/c1-2-20-4-6(3-18)21-5-17-8-7(14-11(17)13)9(19)16-10(12)15-8/h6,18H,2-5H2,1H3,(H2,13,14)(H3,12,15,16,19)