N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H13BrFN5O2S MolecularWeight: 438.274123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrFN5O2S/c17-10-3-4-13(12(18)8-10)22-16-14(23(24)25)15(20-9-21-16)19-6-5-11-2-1-7-26-11/h1-4,7-9H,5-6H2,(H2,19,20,21,22)