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

Systemtic Name: 8-butylsulfanyl-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(butylthio)-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(butylthio)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-xanthine Formula: C18H20Cl2N4O2S MolecularWeight: 427.348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N4O2S/c1-4-5-8-27-17-21-15-14(22(17)2)16(25)24(18(26)23(15)3)10-11-6-7-12(19)9-13(11)20/h6-7,9H,4-5,8,10H2,1-3H3