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

Systemtic Name: N4-(3,4-dimethoxyphenyl)-N2-(4-ethoxyphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(3,4-dimethoxyphenyl)-N2-(4-ethoxyphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(3,4-dimethoxyphenyl)-N2-(4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(3,4-dimethoxyphenyl)-2-N-(4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [4-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]-p-phenetyl-amine Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=C(C=C3)OC)OC)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=C(C=C3)OC)OC)F

InChI

InChI=1S/C20H21FN4O3/c1-4-28-15-8-5-13(6-9-15)24-20-22-12-16(21)19(25-20)23-14-7-10-17(26-2)18(11-14)27-3/h5-12H,4H2,1-3H3,(H2,22,23,24,25)