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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[2-(2-pyridyl)thiazol-4-yl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[2-(2-pyridinyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[[2-(2-pyridyl)thiazol-4-yl]methyl]xanthine Formula: C16H13ClN6O2S MolecularWeight: 388.83142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CSC(=N3)C4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CSC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C16H13ClN6O2S/c1-21-12-11(14(24)22(2)16(21)25)23(15(17)20-12)7-9-8-26-13(19-9)10-5-3-4-6-18-10/h3-6,8H,7H2,1-2H3