N6-(4-butylphenyl)-N4-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(3-chloro-4-fluoro-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C20H21ClFN5 MolecularWeight: 385.865643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C20H21ClFN5/c1-2-3-4-13-5-7-14(8-6-13)26-19-18(23)20(25-12-24-19)27-15-9-10-17(22)16(21)11-15/h5-12H,2-4,23H2,1H3,(H2,24,25,26,27)