2-azanyl-8-(1,3-benzodioxol-5-ylmethyl)-3,7-dihydropurine-6-thione

Systemtic Name: 2-azanyl-8-(1,3-benzodioxol-5-ylmethyl)-3,7-dihydropurine-6-thione Openeye Name: 2-amino-8-(1,3-benzodioxol-5-ylmethyl)-3,7-dihydropurine-6-thione CAS Name: 2-amino-8-(1,3-benzodioxol-5-ylmethyl)-3,7-dihydropurine-6-thione IUPAC Name: 2-amino-8-(1,3-benzodioxol-5-ylmethyl)-3,7-dihydropurine-6-thione Traditional Name: 2-amino-8-piperonyl-3,7-dihydropurine-6-thione Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NC4=C(N3)C(=S)N=C(N4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NC4=C(N3)C(=S)N=C(N4)N

InChI

InChI=1S/C13H11N5O2S/c14-13-17-11-10(12(21)18-13)15-9(16-11)4-6-1-2-7-8(3-6)20-5-19-7/h1-3H,4-5H2,(H4,14,15,16,17,18,21)