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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Openeye Name: 8-chloro-7-[[2-(4-isopropylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(2-p-cumenylthiazol-4-yl)methyl]xanthine Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C20H20ClN5O2S/c1-11(2)12-5-7-13(8-6-12)17-22-14(10-29-17)9-26-15-16(23-19(26)21)24(3)20(28)25(4)18(15)27/h5-8,10-11H,9H2,1-4H3