7-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[2-(4-chlorophenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[2-(4-chlorophenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[2-(4-chlorophenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H14ClN5O2S/c1-21-14-13(16(24)22(2)17(21)25)23(9-19-14)7-12-8-26-15(20-12)10-3-5-11(18)6-4-10/h3-6,8-9H,7H2,1-2H3