2-[[5-[[1-(4-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-[[1-(4-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[[1-(4-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-[[1-(4-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-benzyl]isoindoline-1,3-quinone Formula: C27H18FN3O5S MolecularWeight: 515.512323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H18FN3O5S/c1-36-22-11-6-15(12-16(22)14-30-24(33)19-4-2-3-5-20(19)25(30)34)13-21-23(32)29-27(37)31(26(21)35)18-9-7-17(28)8-10-18/h2-13H,14H2,1H3,(H,29,32,37)