1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea

Systemtic Name: 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Openeye Name: 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea CAS Name: 1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-9-purinyl]phenyl]urea IUPAC Name: 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Traditional Name: 1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Formula: C27H30F3N9O MolecularWeight: 553.58201

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5NC)C(F)(F)F

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C=NC5=C4N=CN=C5NC)C(F)(F)F

InChI

InChI=1S/C27H30F3N9O/c1-3-37-10-12-38(13-11-37)15-18-4-5-20(14-22(18)27(28,29)30)36-26(40)35-19-6-8-21(9-7-19)39-17-34-23-24(31-2)32-16-33-25(23)39/h4-9,14,16-17H,3,10-13,15H2,1-2H3,(H,31,32,33)(H2,35,36,40)