N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C18H14ClF3N6O2 MolecularWeight: 438.79097

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3N6O2/c1-27(9-11-5-3-2-4-6-11)17-14(28(29)30)16(24-10-25-17)26-15-13(19)7-12(8-23-15)18(20,21)22/h2-8,10H,9H2,1H3,(H,23,24,25,26)