3-methyl-8-[(2R)-2-oxidanylpropyl]sulfanyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2R)-2-oxidanylpropyl]sulfanyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-[(2R)-2-hydroxypropyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(2R)-2-hydroxypropyl]thio]-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-[(2R)-2-hydroxypropyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-[[(2R)-2-hydroxypropyl]thio]-3-methyl-xanthine Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)O

Isomeric SMILES

C[C@H](CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H24N4O3S/c1-16(28)15-31-22-24-20-19(26(22)13-17-9-5-3-6-10-17)21(29)27(23(30)25(20)2)14-18-11-7-4-8-12-18/h3-12,16,28H,13-15H2,1-2H3/t16-/m1/s1