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

Systemtic Name: N2,N4-bis(3,4-dimethoxyphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(3,4-dimethoxyphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(3,4-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [2-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]-(3,4-dimethoxyphenyl)amine Formula: C20H21FN4O4 MolecularWeight: 400.403543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C20H21FN4O4/c1-26-15-7-5-12(9-17(15)28-3)23-19-14(21)11-22-20(25-19)24-13-6-8-16(27-2)18(10-13)29-4/h5-11H,1-4H3,(H2,22,23,24,25)