8-[(E)-2-phenylethenyl]-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydro-3H-purin-6-one

Systemtic Name: 8-[(E)-2-phenylethenyl]-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydro-3H-purin-6-one Openeye Name: 2-benzylsulfanyl-8-[(E)-styryl]-9-trityl-7,8-dihydro-3H-purin-6-one CAS Name: 8-[(E)-2-phenylethenyl]-2-(phenylmethylthio)-9-(triphenylmethyl)-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-benzylsulfanyl-8-[(E)-2-phenylethenyl]-9-trityl-7,8-dihydro-3H-purin-6-one Traditional Name: 2-(benzylthio)-8-[(E)-styryl]-9-trityl-7,8-dihydro-3H-purin-6-one Formula: C39H32N4OS MolecularWeight: 604.76258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N(C(N3)C=CC4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N(C(N3)/C=C/C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H32N4OS/c44-37-35-36(41-38(42-37)45-28-30-18-8-2-9-19-30)43(34(40-35)27-26-29-16-6-1-7-17-29)39(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-27,34,40H,28H2,(H,41,42,44)/b27-26+