6-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4O2S/c1-25-15(11-18(27)26(2)21(25)28)12-29-20-17-6-4-3-5-16(17)19(23-24-20)13-7-9-14(22)10-8-13/h3-11H,12H2,1-2H3