2-[3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-propan-2-ylsulfanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-propan-2-ylsulfanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-isopropylsulfanyl-propyl]isoindoline-1,3-dione CAS Name: 2-[3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-(propan-2-ylthio)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-propan-2-ylsulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-(isopropylthio)propyl]isoindoline-1,3-quinone Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(CCN1C(=O)C2=CC=CC=C2C1=O)N3C=C(C(=O)NC3=O)F

Isomeric SMILES

CC(C)SC(CCN1C(=O)C2=CC=CC=C2C1=O)N3C=C(C(=O)NC3=O)F

InChI

InChI=1S/C18H18FN3O4S/c1-10(2)27-14(22-9-13(19)15(23)20-18(22)26)7-8-21-16(24)11-5-3-4-6-12(11)17(21)25/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,23,26)