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

Systemtic Name: 8-ethylsulfanyl-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-ethylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-(ethylthio)-3-methyl-xanthine Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-3-29-21-23-19-18(25(21)14-16-10-6-4-7-11-16)20(27)26(22(28)24(19)2)15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3