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

Systemtic Name: 1,3-dimethyl-7-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Openeye Name: 7-[[2-(4-isopropylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(2-p-cumenylthiazol-4-yl)methyl]xanthine Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-12(2)13-5-7-14(8-6-13)18-22-15(10-28-18)9-25-11-21-17-16(25)19(26)24(4)20(27)23(17)3/h5-8,10-12H,9H2,1-4H3