6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-prop-2-ynyl-pyrimidine-2,4-dione

Systemtic Name: 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-prop-2-ynyl-pyrimidine-2,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)-3-prop-2-ynyl-6-(p-tolyl)pyrimidine-2,4-dione CAS Name: 6-(4-methylphenyl)-1-[4-(methylthio)phenyl]-3-prop-2-ynylpyrimidine-2,4-dione IUPAC Name: 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)-3-prop-2-ynylpyrimidine-2,4-dione Traditional Name: 1-[4-(methylthio)phenyl]-3-propargyl-6-(p-tolyl)pyrimidine-2,4-quinone Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N(C(=O)N2C3=CC=C(C=C3)SC)CC#C

InChI

InChI=1S/C21H18N2O2S/c1-4-13-22-20(24)14-19(16-7-5-15(2)6-8-16)23(21(22)25)17-9-11-18(26-3)12-10-17/h1,5-12,14H,13H2,2-3H3