2-azanyl-6-(phenylmethyl)-7,9-dihydropurine-8-thione

Systemtic Name: 2-azanyl-6-(phenylmethyl)-7,9-dihydropurine-8-thione Openeye Name: 2-amino-6-benzyl-7,9-dihydropurine-8-thione CAS Name: 2-amino-6-(phenylmethyl)-7,9-dihydropurine-8-thione IUPAC Name: 2-amino-6-benzyl-7,9-dihydropurine-8-thione Traditional Name: 2-amino-6-benzyl-7,9-dihydropurine-8-thione Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)NC(=S)N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)NC(=S)N3

InChI

InChI=1S/C12H11N5S/c13-11-14-8(6-7-4-2-1-3-5-7)9-10(16-11)17-12(18)15-9/h1-5H,6H2,(H4,13,14,15,16,17,18)