8-[(3,4-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(3,4-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(3,4-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(3,4-dimethylphenyl)methylthio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(3,4-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(3,4-dimethylbenzyl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C16H18N4O2S/c1-9-5-6-11(7-10(9)2)8-23-15-17-12-13(18-15)19(3)16(22)20(4)14(12)21/h5-7H,8H2,1-4H3,(H,17,18)