6-[4-(2-chloranylphenoxy)but-2-ynylsulfanyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[4-(2-chloranylphenoxy)but-2-ynylsulfanyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-(2-chlorophenoxy)but-2-ynylsulfanyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-(2-chlorophenoxy)but-2-ynylthio]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-(2-chlorophenoxy)but-2-ynylsulfanyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-(2-chlorophenoxy)but-2-ynylthio]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)SCC#CCOC2=CC=CC=C2Cl

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)SCC#CCOC2=CC=CC=C2Cl

InChI

InChI=1S/C16H15ClN2O3S/c1-18-14(20)11-15(19(2)16(18)21)23-10-6-5-9-22-13-8-4-3-7-12(13)17/h3-4,7-8,11H,9-10H2,1-2H3