8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=C(C=C4)OC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=C(C=C4)OC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H24N4O4S/c1-15-5-7-16(8-6-15)13-28-20-21(26(2)24(31)27(3)22(20)30)25-23(28)33-14-19(29)17-9-11-18(32-4)12-10-17/h5-12H,13-14H2,1-4H3