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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

InChI

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