2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine

Systemtic Name: 2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine Openeye Name: 2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine CAS Name: 2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine IUPAC Name: 2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine Traditional Name: 2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine Formula: C20H18F3N5O MolecularWeight: 401.38503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N=C(N)NC2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)/N=C(\N)/NC2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H18F3N5O/c1-12-14(11-13-7-3-2-4-8-13)17(29)27-19(25-12)28-18(24)26-16-10-6-5-9-15(16)20(21,22)23/h2-10H,11H2,1H3,(H4,24,25,26,27,28,29)