1-[4-[3-[(1-oxidanyl-2H-pyridin-5-yl)oxy]phenyl]but-3-yn-2-yl]urea

Systemtic Name: 1-[4-[3-[(1-oxidanyl-2H-pyridin-5-yl)oxy]phenyl]but-3-yn-2-yl]urea Openeye Name: [3-[3-[(1-hydroxy-2H-pyridin-5-yl)oxy]phenyl]-1-methyl-prop-2-ynyl]urea CAS Name: 4-[3-[(1-hydroxy-2H-pyridin-5-yl)oxy]phenyl]but-3-yn-2-ylurea IUPAC Name: 4-[3-[(1-hydroxy-2H-pyridin-5-yl)oxy]phenyl]but-3-yn-2-ylurea Traditional Name: [3-[3-[(1-hydroxy-2H-pyridin-5-yl)oxy]phenyl]-1-methyl-prop-2-ynyl]urea Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)OC2=CN(CC=C2)O)NC(=O)N

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)OC2=CN(CC=C2)O)NC(=O)N

InChI

InChI=1S/C16H17N3O3/c1-12(18-16(17)20)7-8-13-4-2-5-14(10-13)22-15-6-3-9-19(21)11-15/h2-6,10-12,21H,9H2,1H3,(H3,17,18,20)