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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(2-phenylthiazol-4-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-phenyl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(2-phenylthiazol-4-yl)methyl]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)Cl)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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