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

Systemtic Name: 3-methyl-1,7-bis(phenylmethyl)-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-benzylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-1,7-bis(phenylmethyl)-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-benzylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(benzylthio)-3-methyl-xanthine Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)SCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)SCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2S/c1-29-24-23(25(32)31(27(29)33)18-21-13-7-3-8-14-21)30(17-20-11-5-2-6-12-20)26(28-24)34-19-22-15-9-4-10-16-22/h2-16H,17-19H2,1H3