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

Systemtic Name: 8-[2-(4-chlorophenyl)sulfanylethylamino]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenyl)sulfanylethylamino]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[2-[(4-chlorophenyl)thio]ethylamino]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)sulfanylethylamino]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[2-[(4-chlorophenyl)thio]ethylamino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H16ClN5O2S MolecularWeight: 365.83784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H16ClN5O2S/c1-20-12-11(13(22)21(2)15(20)23)18-14(19-12)17-7-8-24-10-5-3-9(16)4-6-10/h3-6H,7-8H2,1-2H3,(H2,17,18,19)