N4-[2-(cyclopropylmethylsulfamoylamino)phenyl]-5-fluoranyl-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[2-(cyclopropylmethylsulfamoylamino)phenyl]-5-fluoranyl-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-[2-(cyclopropylmethylsulfamoylamino)phenyl]-5-fluoro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-[2-(cyclopropylmethylsulfamoylamino)phenyl]-5-fluoro-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[2-(cyclopropylmethylsulfamoylamino)phenyl]-5-fluoro-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: cyclopropylmethyl-[[2-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]sulfamoyl]amine Formula: C23H27FN6O5S MolecularWeight: 518.561083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)NCC4CC4)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)NCC4CC4)F

InChI

InChI=1S/C23H27FN6O5S/c1-33-19-10-15(11-20(34-2)21(19)35-3)27-23-25-13-16(24)22(29-23)28-17-6-4-5-7-18(17)30-36(31,32)26-12-14-8-9-14/h4-7,10-11,13-14,26,30H,8-9,12H2,1-3H3,(H2,25,27,28,29)