8-butylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(butylthio)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-(2-chlorobenzyl)-3-methyl-xanthine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H19ClN4O2S/c1-3-4-9-25-17-19-14-13(15(23)20-16(24)21(14)2)22(17)10-11-7-5-6-8-12(11)18/h5-8H,3-4,9-10H2,1-2H3,(H,20,23,24)