3-[2,4-bis(chloranyl)-5-methoxy-3-(trifluoromethyl)phenyl]-1-[6-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1-methyl-urea

Systemtic Name: 3-[2,4-bis(chloranyl)-5-methoxy-3-(trifluoromethyl)phenyl]-1-[6-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1-methyl-urea Openeye Name: 3-[2,4-dichloro-5-methoxy-3-(trifluoromethyl)phenyl]-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methyl-urea CAS Name: 3-[2,4-dichloro-5-methoxy-3-(trifluoromethyl)phenyl]-1-[6-[4-(4-ethyl-1-piperazinyl)anilino]-4-pyrimidinyl]-1-methylurea IUPAC Name: 3-[2,4-dichloro-5-methoxy-3-(trifluoromethyl)phenyl]-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea Traditional Name: 3-[2,4-dichloro-5-methoxy-3-(trifluoromethyl)phenyl]-1-[6-[4-(4-ethylpiperazino)anilino]pyrimidin-4-yl]-1-methyl-urea Formula: C26H28Cl2F3N7O2 MolecularWeight: 598.44743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=CC(=C(C(=C4Cl)C(F)(F)F)Cl)OC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=CC(=C(C(=C4Cl)C(F)(F)F)Cl)OC

InChI

InChI=1S/C26H28Cl2F3N7O2/c1-4-37-9-11-38(12-10-37)17-7-5-16(6-8-17)34-20-14-21(33-15-32-20)36(2)25(39)35-18-13-19(40-3)24(28)22(23(18)27)26(29,30)31/h5-8,13-15H,4,9-12H2,1-3H3,(H,35,39)(H,32,33,34)