8-[[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylmethyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylmethyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylmethyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H17ClN6O2S/c1-10-11(19)5-4-6-12(10)25-8-7-20-17(25)28-9-13-21-14-15(22-13)23(2)18(27)24(3)16(14)26/h4-8H,9H2,1-3H3,(H,21,22)