3-methyl-8-(2-methylpropylsulfanyl)-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylsulfanyl)-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylthio)-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(isobutylthio)-3-methyl-xanthine Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S/c1-17(2)16-31-23-25-21-20(27(23)14-18-10-6-4-7-11-18)22(29)28(24(30)26(21)3)15-19-12-8-5-9-13-19/h4-13,17H,14-16H2,1-3H3