8-[(2,5-dimethylphenyl)methylsulfanyl]-9-methyl-3H-purin-6-one

Systemtic Name: 8-[(2,5-dimethylphenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[(2,5-dimethylphenyl)methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[(2,5-dimethylphenyl)methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[(2,5-dimethylphenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[(2,5-dimethylbenzyl)thio]-9-methyl-3H-purin-6-one Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(N2C)NC=NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(N2C)NC=NC3=O

InChI

InChI=1S/C15H16N4OS/c1-9-4-5-10(2)11(6-9)7-21-15-18-12-13(19(15)3)16-8-17-14(12)20/h4-6,8H,7H2,1-3H3,(H,16,17,20)