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

Systemtic Name: 2-ethyl-8-hexylsulfanyl-9-(phenylmethyl)-3H-purin-6-one Openeye Name: 9-benzyl-2-ethyl-8-hexylsulfanyl-3H-purin-6-one CAS Name: 2-ethyl-8-(hexylthio)-9-(phenylmethyl)-3H-purin-6-one IUPAC Name: 9-benzyl-2-ethyl-8-hexylsulfanyl-3H-purin-6-one Traditional Name: 9-benzyl-2-ethyl-8-(hexylthio)-3H-purin-6-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)NC(=NC2=O)CC

Isomeric SMILES

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)NC(=NC2=O)CC

InChI

InChI=1S/C20H26N4OS/c1-3-5-6-10-13-26-20-23-17-18(21-16(4-2)22-19(17)25)24(20)14-15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,21,22,25)