1,3-dimethyl-8-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(3-methyl-5-nitro-4-imidazolyl)thio]-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(3-methyl-5-nitro-imidazol-4-yl)thio]xanthine Formula: C19H19N7O4S MolecularWeight: 441.46366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=C(N=CN4C)[N+](=O)[O-])N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SC4=C(N=CN4C)[N+](=O)[O-])N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H19N7O4S/c1-11-5-7-12(8-6-11)9-25-13-14(23(3)19(28)24(4)16(13)27)21-18(25)31-17-15(26(29)30)20-10-22(17)2/h5-8,10H,9H2,1-4H3