N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C18H15ClFN5O2 MolecularWeight: 387.795403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN5O2/c1-11(12-5-3-2-4-6-12)23-17-16(25(26)27)18(22-10-21-17)24-13-7-8-15(20)14(19)9-13/h2-11H,1H3,(H2,21,22,23,24)