2-azanyl-9-[2,3-bis(oxidanyl)propoxymethyl]-3H-purine-6-thione

Systemtic Name: 2-azanyl-9-[2,3-bis(oxidanyl)propoxymethyl]-3H-purine-6-thione Openeye Name: 2-amino-9-(2,3-dihydroxypropoxymethyl)-3H-purine-6-thione CAS Name: 2-amino-9-(2,3-dihydroxypropoxymethyl)-3H-purine-6-thione IUPAC Name: 2-amino-9-(2,3-dihydroxypropoxymethyl)-3H-purine-6-thione Traditional Name: 2-amino-9-(glyceryloxymethyl)-3H-purine-6-thione Formula: C9H13N5O3S MolecularWeight: 271.29622

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCC(CO)O)NC(=NC2=S)N

Isomeric SMILES

C1=NC2=C(N1COCC(CO)O)NC(=NC2=S)N

InChI

InChI=1S/C9H13N5O3S/c10-9-12-7-6(8(18)13-9)11-3-14(7)4-17-2-5(16)1-15/h3,5,15-16H,1-2,4H2,(H3,10,12,13,18)