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

Systemtic Name: N2,N4-bis(3-azanyl-4-ethoxy-phenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(3-amino-4-ethoxy-phenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(3-amino-4-ethoxy-anilino)-5-fluoro-pyrimidin-4-yl]-(3-amino-4-ethoxy-phenyl)amine Formula: C20H23FN6O2 MolecularWeight: 398.434023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)OCC)N)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)OCC)N)N

InChI

InChI=1S/C20H23FN6O2/c1-3-28-17-7-5-12(9-15(17)22)25-19-14(21)11-24-20(27-19)26-13-6-8-18(29-4-2)16(23)10-13/h5-11H,3-4,22-23H2,1-2H3,(H2,24,25,26,27)