9-methyl-7-(phenylmethyl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-purin-8-one

Systemtic Name: 9-methyl-7-(phenylmethyl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-purin-8-one Openeye Name: 7-benzyl-9-methyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-purin-8-one CAS Name: 9-methyl-7-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]thio]-8-purinone IUPAC Name: 7-benzyl-9-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylpurin-8-one Traditional Name: 7-benzyl-9-methyl-2-[[3-(trifluoromethyl)phenyl]thio]purin-8-one Formula: C20H15F3N4OS MolecularWeight: 416.41951

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2N(C1=O)CC3=CC=CC=C3)SC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C2=NC(=NC=C2N(C1=O)CC3=CC=CC=C3)SC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H15F3N4OS/c1-26-17-16(27(19(26)28)12-13-6-3-2-4-7-13)11-24-18(25-17)29-15-9-5-8-14(10-15)20(21,22)23/h2-11H,12H2,1H3