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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-3-4-15-31-23-25-21-20(27(23)16-18-11-7-5-8-12-18)22(29)28(24(30)26(21)2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3