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

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

C/C=C/CSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H20N4O2S/c1-6-7-8-22-14-16-12-11(19(14)9-10(2)3)13(20)18(5)15(21)17(12)4/h6-7H,2,8-9H2,1,3-5H3/b7-6+