1,3-dimethyl-7-phenethyl-8-phenethylsulfanyl-6-sulfanylidene-purin-2-one

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-phenethylsulfanyl-6-sulfanylidene-purin-2-one Openeye Name: 1,3-dimethyl-7-phenethyl-8-phenethylsulfanyl-6-thioxo-purin-2-one CAS Name: 1,3-dimethyl-7-phenethyl-8-(phenethylthio)-6-sulfanylidene-2-purinone IUPAC Name: 1,3-dimethyl-7-phenethyl-8-phenethylsulfanyl-6-sulfanylidenepurin-2-one Traditional Name: 1,3-dimethyl-7-phenethyl-8-(phenethylthio)-6-thioxo-purin-2-one Formula: C23H24N4OS2 MolecularWeight: 436.59286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)N(C(=N2)SCCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)N(C(=N2)SCCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS2/c1-25-20-19(21(29)26(2)23(25)28)27(15-13-17-9-5-3-6-10-17)22(24-20)30-16-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3