3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylthio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-[(4-methylbenzyl)thio]xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2C(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2C(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H20N4O2S/c1-10(2)21-13-14(20(4)16(23)19-15(13)22)18-17(21)24-9-12-7-5-11(3)6-8-12/h5-8,10H,9H2,1-4H3,(H,19,22,23)