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

Systemtic Name: 1-[4-[3-[(3-oxidanyl-4H-pyrimidin-2-yl)oxy]phenyl]but-3-yn-2-yl]urea Openeye Name: [3-[3-[(3-hydroxy-4H-pyrimidin-2-yl)oxy]phenyl]-1-methyl-prop-2-ynyl]urea CAS Name: 4-[3-[(3-hydroxy-4H-pyrimidin-2-yl)oxy]phenyl]but-3-yn-2-ylurea IUPAC Name: 4-[3-[(3-hydroxy-4H-pyrimidin-2-yl)oxy]phenyl]but-3-yn-2-ylurea Traditional Name: [3-[3-[(3-hydroxy-4H-pyrimidin-2-yl)oxy]phenyl]-1-methyl-prop-2-ynyl]urea Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)OC2=NC=CCN2O)NC(=O)N

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)OC2=NC=CCN2O)NC(=O)N

InChI

InChI=1S/C15H16N4O3/c1-11(18-14(16)20)6-7-12-4-2-5-13(10-12)22-15-17-8-3-9-19(15)21/h2-5,8,10-11,21H,9H2,1H3,(H3,16,18,20)