1-tert-butyl-3-(5-cyano-2-pyridin-4-yl-pyrimidin-4-yl)urea

Systemtic Name: 1-tert-butyl-3-(5-cyano-2-pyridin-4-yl-pyrimidin-4-yl)urea Openeye Name: 1-tert-butyl-3-[5-cyano-2-(4-pyridyl)pyrimidin-4-yl]urea CAS Name: 1-tert-butyl-3-(5-cyano-2-pyridin-4-yl-4-pyrimidinyl)urea IUPAC Name: 1-tert-butyl-3-(5-cyano-2-pyridin-4-ylpyrimidin-4-yl)urea Traditional Name: 1-tert-butyl-3-[5-cyano-2-(4-pyridyl)pyrimidin-4-yl]urea Formula: C15H16N6O MolecularWeight: 296.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NC(=NC=C1C#N)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NC(=NC=C1C#N)C2=CC=NC=C2

InChI

InChI=1S/C15H16N6O/c1-15(2,3)21-14(22)20-13-11(8-16)9-18-12(19-13)10-4-6-17-7-5-10/h4-7,9H,1-3H3,(H2,18,19,20,21,22)