2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-8-bromanyl-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-8-bromanyl-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-(1,3-dihydroxypropan-2-yloxymethyl)-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-(1,3-dihydroxypropan-2-yloxymethyl)-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-7,8-dihydro-3H-purin-6-one Formula: C9H14BrN5O4 MolecularWeight: 336.14256

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)OCN1C(NC2=C1NC(=NC2=O)N)Br)O

Isomeric SMILES

C(C(CO)OCN1C(NC2=C1NC(=NC2=O)N)Br)O

InChI

InChI=1S/C9H14BrN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,8,12,16-17H,1-3H2,(H3,11,13,14,18)