7-[(4-bromophenyl)methyl]-8-butylsulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-bromophenyl)methyl]-8-butylsulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-butylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-8-(butylthio)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-8-butylsulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(butylthio)-1,3-dimethyl-xanthine Formula: C18H21BrN4O2S MolecularWeight: 437.35394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4O2S/c1-4-5-10-26-17-20-15-14(16(24)22(3)18(25)21(15)2)23(17)11-12-6-8-13(19)9-7-12/h6-9H,4-5,10-11H2,1-3H3