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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-propylsulfanyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-propylsulfanyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(propylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-propylsulfanylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-methylbenzyl)-8-(propylthio)xanthine Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

InChI

InChI=1S/C18H22N4O2S/c1-5-10-25-17-19-15-14(20(17)3)16(23)22(18(24)21(15)4)11-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3