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

Systemtic Name: 7-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)OC

InChI

InChI=1S/C20H21N5O4S/c1-5-29-14-7-6-12(8-15(14)28-4)18-22-13(10-30-18)9-25-11-21-17-16(25)19(26)24(3)20(27)23(17)2/h6-8,10-11H,5,9H2,1-4H3