1-hexyl-3-[6-(4-nitrophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]urea

Systemtic Name: 1-hexyl-3-[6-(4-nitrophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]urea Openeye Name: 1-hexyl-3-[6-(4-nitrophenyl)-4-oxo-1H-pyrimidin-2-yl]urea CAS Name: 1-hexyl-3-[6-(4-nitrophenyl)-4-oxo-1H-pyrimidin-2-yl]urea IUPAC Name: 1-hexyl-3-[6-(4-nitrophenyl)-4-oxo-1H-pyrimidin-2-yl]urea Traditional Name: 1-hexyl-3-[4-keto-6-(4-nitrophenyl)-1H-pyrimidin-2-yl]urea Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=NC(=O)C=C(N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)NC1=NC(=O)C=C(N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-2-3-4-5-10-18-17(24)21-16-19-14(11-15(23)20-16)12-6-8-13(9-7-12)22(25)26/h6-9,11H,2-5,10H2,1H3,(H3,18,19,20,21,23,24)