2-azanyl-9-[(1-oxidanyl-3-propan-2-yloxy-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1-oxidanyl-3-propan-2-yloxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(hydroxymethyl)-2-isopropoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-hydroxy-3-propan-2-yloxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-hydroxy-3-propan-2-yloxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[2-hydroxy-1-(isopropoxymethyl)ethoxy]methyl]-3H-purin-6-one Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C12H19N5O4/c1-7(2)20-4-8(3-18)21-6-17-5-14-9-10(17)15-12(13)16-11(9)19/h5,7-8,18H,3-4,6H2,1-2H3,(H3,13,15,16,19)