N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C18H15ClFN5O2 MolecularWeight: 387.795403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFN5O2/c19-14-10-13(6-7-15(14)20)24-18-16(25(26)27)17(22-11-23-18)21-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,21,22,23,24)