2-ethyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one

Systemtic Name: 2-ethyl-9-(phenylmethyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one Openeye Name: 9-benzyl-8-benzylsulfanyl-2-ethyl-3H-purin-6-one CAS Name: 2-ethyl-9-(phenylmethyl)-8-(phenylmethylthio)-3H-purin-6-one IUPAC Name: 9-benzyl-8-benzylsulfanyl-2-ethyl-3H-purin-6-one Traditional Name: 9-benzyl-8-(benzylthio)-2-ethyl-3H-purin-6-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-2-17-22-19-18(20(26)23-17)24-21(27-14-16-11-7-4-8-12-16)25(19)13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,22,23,26)