3-methyl-7-[(3-methylphenyl)methyl]-8-pentylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-pentylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(pentylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24N4O2S/c1-4-5-6-10-26-19-20-16-15(17(24)21-18(25)22(16)3)23(19)12-14-9-7-8-13(2)11-14/h7-9,11H,4-6,10,12H2,1-3H3,(H,21,24,25)