3-methyl-8-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]thio]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]thio]-3-methyl-7-(4-methylbenzyl)xanthine Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(COC4=CC=CC=C4C)O)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SC[C@H](COC4=CC=CC=C4C)O)N(C(=O)NC3=O)C

InChI

InChI=1S/C24H26N4O4S/c1-15-8-10-17(11-9-15)12-28-20-21(27(3)23(31)26-22(20)30)25-24(28)33-14-18(29)13-32-19-7-5-4-6-16(19)2/h4-11,18,29H,12-14H2,1-3H3,(H,26,30,31)/t18-/m0/s1