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

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(E)-but-2-enyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-xanthine Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-4-5-11-25-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)12-13-9-7-6-8-10-13/h4-10H,11-12H2,1-3H3/b5-4+