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

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylphenyl)sulfanylethylamino]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(p-tolylsulfanyl)ethylamino]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-[(4-methylphenyl)thio]ethylamino]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(4-methylphenyl)sulfanylethylamino]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[2-(p-tolylthio)ethylamino]-7H-purine-2,6-quinone Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H19N5O2S/c1-10-4-6-11(7-5-10)24-9-8-17-15-18-12-13(19-15)20(2)16(23)21(3)14(12)22/h4-7H,8-9H2,1-3H3,(H2,17,18,19)