1-(4-butoxyphenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(4-butoxyphenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(4-butoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(4-butoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(4-butoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Traditional Name: 1-(4-butoxyphenyl)-2-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Formula: C16H18F3N5O2 MolecularWeight: 369.34163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=NC2=NC(=O)C=C(N2)C(F)(F)F)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N

InChI

InChI=1S/C16H18F3N5O2/c1-2-3-8-26-11-6-4-10(5-7-11)21-14(20)24-15-22-12(16(17,18)19)9-13(25)23-15/h4-7,9H,2-3,8H2,1H3,(H4,20,21,22,23,24,25)