6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[(E)-4-oxidanylbut-2-enyl]pyrimidine-2,4-dione

Systemtic Name: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[(E)-4-oxidanylbut-2-enyl]pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[(E)-4-hydroxybut-2-enyl]pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)thio]-5-ethyl-1-[(E)-4-hydroxybut-2-enyl]pyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[(E)-4-hydroxybut-2-enyl]pyrimidine-2,4-dione Traditional Name: 6-[(3,5-dimethylphenyl)thio]-5-ethyl-1-[(E)-4-hydroxybut-2-enyl]pyrimidine-2,4-quinone Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC=CCO)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)C/C=C/CO)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H22N2O3S/c1-4-15-16(22)19-18(23)20(7-5-6-8-21)17(15)24-14-10-12(2)9-13(3)11-14/h5-6,9-11,21H,4,7-8H2,1-3H3,(H,19,22,23)/b6-5+