N4-(4H-1,4-benzoxazin-6-yl)-N2-(3,5-dimethoxyphenyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(4H-1,4-benzoxazin-6-yl)-N2-(3,5-dimethoxyphenyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(4H-1,4-benzoxazin-6-yl)-N2-(3,5-dimethoxyphenyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(4H-1,4-benzoxazin-6-yl)-N2-(3,5-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(4H-1,4-benzoxazin-6-yl)-2-N-(3,5-dimethoxyphenyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: 4H-1,4-benzoxazin-6-yl-[2-(3,5-dimethoxyanilino)-5-fluoro-pyrimidin-4-yl]amine Formula: C20H18FN5O3 MolecularWeight: 395.387023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC=CN4)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC=CN4)F)OC

InChI

InChI=1S/C20H18FN5O3/c1-27-14-7-13(8-15(10-14)28-2)25-20-23-11-16(21)19(26-20)24-12-3-4-18-17(9-12)22-5-6-29-18/h3-11,22H,1-2H3,(H2,23,24,25,26)