8-butylsulfanyl-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-butylsulfanyl-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(butylthio)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-butylsulfanyl-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(butylthio)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C

InChI

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