2-azanyl-1-chloranyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one

Systemtic Name: 2-azanyl-1-chloranyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-one Openeye Name: 2-amino-1-chloro-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-one CAS Name: 2-amino-1-chloro-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinone IUPAC Name: 2-amino-1-chloro-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one Traditional Name: 2-amino-1-chloro-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-one Formula: C10H12ClN5O5 MolecularWeight: 317.68578

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N(C2=O)Cl)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N(C2=O)Cl)N

InChI

InChI=1S/C10H12ClN5O5/c11-16-8(20)4-7(14-10(16)12)15(2-13-4)9-6(19)5(18)3(1-17)21-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14)