8-cyclopentyl-6-methylsulfanyl-3-(phenylmethyl)-7H-purin-2-one

Systemtic Name: 8-cyclopentyl-6-methylsulfanyl-3-(phenylmethyl)-7H-purin-2-one Openeye Name: 3-benzyl-8-cyclopentyl-6-methylsulfanyl-7H-purin-2-one CAS Name: 8-cyclopentyl-6-(methylthio)-3-(phenylmethyl)-7H-purin-2-one IUPAC Name: 3-benzyl-8-cyclopentyl-6-methylsulfanyl-7H-purin-2-one Traditional Name: 3-benzyl-8-cyclopentyl-6-(methylthio)-7H-purin-2-one Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)N(C2=C1NC(=N2)C3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=O)N(C2=C1NC(=N2)C3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-24-17-14-16(20-15(19-14)13-9-5-6-10-13)22(18(23)21-17)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,19,20)