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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-phenylazanyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 7-[(2-anilinothiazol-4-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-anilino-4-thiazolyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-anilino-1,3-thiazol-4-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2-anilinothiazol-4-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C17H15ClN6O2S MolecularWeight: 402.858

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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)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C17H15ClN6O2S/c1-22-13-12(14(25)23(2)17(22)26)24(15(18)21-13)8-11-9-27-16(20-11)19-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,20)