N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C21H13ClF3N5O2 MolecularWeight: 459.80843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H13ClF3N5O2/c22-16-9-8-13(10-15(16)21(23,24)25)28-19-18(30(31)32)20(27-11-26-19)29-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H2,26,27,28,29)