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

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

C/C=C/CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O3S/c1-4-5-8-21-13-14-10-9(17(13)6-7-20-3)11(18)15-12(19)16(10)2/h4-5H,6-8H2,1-3H3,(H,15,18,19)/b5-4+