8-[(E)-but-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-7-(4-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19ClN4O2S/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/h4-9H,10-11H2,1-3H3/b5-4+