1-but-2-ynyl-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione

Systemtic Name: 1-but-2-ynyl-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione Openeye Name: 1-but-2-ynyl-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione CAS Name: 1-but-2-ynyl-6-[(3,5-dimethylphenyl)thio]-5-ethylpyrimidine-2,4-dione IUPAC Name: 1-but-2-ynyl-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione Traditional Name: 1-but-2-ynyl-6-[(3,5-dimethylphenyl)thio]-5-ethyl-pyrimidine-2,4-quinone Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-5-7-8-20-17(15(6-2)16(21)19-18(20)22)23-14-10-12(3)9-13(4)11-14/h9-11H,6,8H2,1-4H3,(H,19,21,22)