3-phenyl-1,7-bis(phenylmethyl)-8-(phenylmethylsulfanyl)purine-2,6-dione

Systemtic Name: 3-phenyl-1,7-bis(phenylmethyl)-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-benzylsulfanyl-3-phenyl-purine-2,6-dione CAS Name: 3-phenyl-1,7-bis(phenylmethyl)-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-benzylsulfanyl-3-phenylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(benzylthio)-3-phenyl-xanthine Formula: C32H26N4O2S MolecularWeight: 530.63944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2SCC4=CC=CC=C4)N(C(=O)N(C3=O)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2SCC4=CC=CC=C4)N(C(=O)N(C3=O)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H26N4O2S/c37-30-28-29(36(27-19-11-4-12-20-27)32(38)35(30)22-25-15-7-2-8-16-25)33-31(39-23-26-17-9-3-10-18-26)34(28)21-24-13-5-1-6-14-24/h1-20H,21-23H2