1,3-dimethyl-7-[2-[(2-methylsulfanylphenyl)amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[(2-methylsulfanylphenyl)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2-methylsulfanylanilino)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[2-(methylthio)anilino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(2-methylsulfanylanilino)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[2-(methylthio)anilino]ethyl]xanthine Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3SC

InChI

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