2-[6-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-4-oxidanyl-hex-5-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-4-oxidanyl-hex-5-ynyl]isoindole-1,3-dione Openeye Name: 2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-hex-5-ynyl]isoindoline-1,3-dione CAS Name: 2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxyhex-5-ynyl]isoindole-1,3-dione IUPAC Name: 2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxyhex-5-ynyl]isoindole-1,3-dione Traditional Name: 2-[6-(2,4-diketo-1H-pyrimidin-5-yl)-4-hydroxy-hex-5-ynyl]isoindoline-1,3-quinone Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(C#CC3=CNC(=O)NC3=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(C#CC3=CNC(=O)NC3=O)O

InChI

InChI=1S/C18H15N3O5/c22-12(8-7-11-10-19-18(26)20-15(11)23)4-3-9-21-16(24)13-5-1-2-6-14(13)17(21)25/h1-2,5-6,10,12,22H,3-4,9H2,(H2,19,20,23,26)