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

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-3-methyl-7-(2-methylallyl)xanthine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-5-6-7-21-14-15-11-10(18(14)8-9(2)3)12(19)16-13(20)17(11)4/h5-6H,2,7-8H2,1,3-4H3,(H,16,19,20)/b6-5+