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

Systemtic Name: N6-(3-chloranyl-4-fluoranyl-phenyl)-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-chloro-4-fluoro-phenyl)-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-fluorophenyl)-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-chloro-4-fluorophenyl)-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C20H13ClFN5O2 MolecularWeight: 409.800923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H13ClFN5O2/c21-15-10-13(8-9-16(15)22)25-19-18(27(28)29)20(24-11-23-19)26-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H,(H2,23,24,25,26)