9-(phenylmethyl)-1-[2-[9-(phenylmethyl)purin-6-yl]sulfanylethyl]purine-6-thione

Systemtic Name: 9-(phenylmethyl)-1-[2-[9-(phenylmethyl)purin-6-yl]sulfanylethyl]purine-6-thione Openeye Name: 9-benzyl-1-[2-(9-benzylpurin-6-yl)sulfanylethyl]purine-6-thione CAS Name: 9-(phenylmethyl)-1-[2-[[9-(phenylmethyl)-6-purinyl]thio]ethyl]-6-purinethione IUPAC Name: 9-benzyl-1-[2-(9-benzylpurin-6-yl)sulfanylethyl]purine-6-thione Traditional Name: 9-benzyl-1-[2-[(9-benzylpurin-6-yl)thio]ethyl]purine-6-thione Formula: C26H22N8S2 MolecularWeight: 510.63648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCN4C=NC5=C(C4=S)N=CN5CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3SCCN4C=NC5=C(C4=S)N=CN5CC6=CC=CC=C6

InChI

InChI=1S/C26H22N8S2/c35-26-22-24(34(17-30-22)14-20-9-5-2-6-10-20)31-18-32(26)11-12-36-25-21-23(27-15-28-25)33(16-29-21)13-19-7-3-1-4-8-19/h1-10,15-18H,11-14H2