N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C17H13ClF3N5O2S MolecularWeight: 443.83063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H13ClF3N5O2S/c18-13-4-3-10(8-12(13)17(19,20)21)25-16-14(26(27)28)15(23-9-24-16)22-6-5-11-2-1-7-29-11/h1-4,7-9H,5-6H2,(H2,22,23,24,25)