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

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-8-bromanyl-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C9H12BrN5O4 MolecularWeight: 334.12668

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1Br)O

Isomeric SMILES

C(C(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1Br)O

InChI

InChI=1S/C9H12BrN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H3,11,13,14,18)