8-(dicyclopropylmethyl)-1-methyl-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydropurin-6-one

Systemtic Name: 8-(dicyclopropylmethyl)-1-methyl-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-7,8-dihydropurin-6-one Openeye Name: 2-benzylsulfanyl-8-(dicyclopropylmethyl)-1-methyl-9-trityl-7,8-dihydropurin-6-one CAS Name: 8-(dicyclopropylmethyl)-1-methyl-2-(phenylmethylthio)-9-(triphenylmethyl)-7,8-dihydropurin-6-one IUPAC Name: 2-benzylsulfanyl-8-(dicyclopropylmethyl)-1-methyl-9-trityl-7,8-dihydropurin-6-one Traditional Name: 2-(benzylthio)-8-(dicyclopropylmethyl)-1-methyl-9-trityl-7,8-dihydropurin-6-one Formula: C39H38N4OS MolecularWeight: 610.81022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)N(C(N2)C(C4CC4)C5CC5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)N(C(N2)C(C4CC4)C5CC5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C39H38N4OS/c1-42-37(44)34-36(41-38(42)45-26-27-14-6-2-7-15-27)43(35(40-34)33(28-22-23-28)29-24-25-29)39(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-21,28-29,33,35,40H,22-26H2,1H3