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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Openeye Name: 7-[(2-benzylthiazol-4-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[2-(phenylmethyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 7-[(2-benzyl-1,3-thiazol-4-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2-benzylthiazol-4-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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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)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CSC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C18H16ClN5O2S/c1-22-15-14(16(25)23(2)18(22)26)24(17(19)21-15)9-12-10-27-13(20-12)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3