1-methyl-8-[(E)-2-phenylethenyl]-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydropurin-6-one

Systemtic Name: 1-methyl-8-[(E)-2-phenylethenyl]-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydropurin-6-one Openeye Name: 2-benzylsulfanyl-1-methyl-8-[(E)-styryl]-9-trityl-7,8-dihydropurin-6-one CAS Name: 1-methyl-8-[(E)-2-phenylethenyl]-2-(phenylmethylthio)-9-(triphenylmethyl)-7,8-dihydropurin-6-one IUPAC Name: 2-benzylsulfanyl-1-methyl-8-[(E)-2-phenylethenyl]-9-trityl-7,8-dihydropurin-6-one Traditional Name: 2-(benzylthio)-1-methyl-8-[(E)-styryl]-9-trityl-7,8-dihydropurin-6-one Formula: C40H34N4OS MolecularWeight: 618.78916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)N(C(N2)C=CC4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)N(C(N2)/C=C/C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C40H34N4OS/c1-43-38(45)36-37(42-39(43)46-29-31-19-9-3-10-20-31)44(35(41-36)28-27-30-17-7-2-8-18-30)40(32-21-11-4-12-22-32,33-23-13-5-14-24-33)34-25-15-6-16-26-34/h2-28,35,41H,29H2,1H3/b28-27+