1-tert-butyl-3-[2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]urea

Systemtic Name: 1-tert-butyl-3-[2-(1-oxidanidylpyridin-1-ium-4-yl)pyrimidin-4-yl]urea Openeye Name: 1-tert-butyl-3-[2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]urea CAS Name: 1-tert-butyl-3-[2-(1-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]urea IUPAC Name: 1-tert-butyl-3-[2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]urea Traditional Name: 1-tert-butyl-3-[2-(1-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]urea Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NC(=NC=C1)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NC(=NC=C1)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C14H17N5O2/c1-14(2,3)18-13(20)17-11-4-7-15-12(16-11)10-5-8-19(21)9-6-10/h4-9H,1-3H3,(H2,15,16,17,18,20)