N2,N4-bis(3-azanyl-4-fluoranyl-phenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(3-azanyl-4-fluoranyl-phenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(3-amino-4-fluoro-phenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(3-amino-4-fluorophenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(3-amino-4-fluorophenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(3-amino-4-fluoro-anilino)-5-fluoro-pyrimidin-4-yl]-(3-amino-4-fluoro-phenyl)amine Formula: C16H13F3N6 MolecularWeight: 346.30983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)F)N)N)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)F)N)N)F

InChI

InChI=1S/C16H13F3N6/c17-10-3-1-8(5-13(10)20)23-15-12(19)7-22-16(25-15)24-9-2-4-11(18)14(21)6-9/h1-7H,20-21H2,(H2,22,23,24,25)