8-[(E)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[(E)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-3-methyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-8-[[(E)-3-chlorobut-2-enyl]thio]-3-methyl-xanthine Formula: C24H23ClN4O2S MolecularWeight: 466.98302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)Cl

Isomeric SMILES

C/C(=C\CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4)/Cl

InChI

InChI=1S/C24H23ClN4O2S/c1-17(25)13-14-32-23-26-21-20(28(23)15-18-9-5-3-6-10-18)22(30)29(24(31)27(21)2)16-19-11-7-4-8-12-19/h3-13H,14-16H2,1-2H3/b17-13+