8-(diphenylmethyl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(diphenylmethyl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-benzhydrylsulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(diphenylmethyl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-benzhydrylsulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(benzhydrylthio)-1,3,7-trimethyl-xanthine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H20N4O2S/c1-23-16-18(24(2)21(27)25(3)19(16)26)22-20(23)28-17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,17H,1-3H3