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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)F)Cl

InChI

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