1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-dimethylaminoethylcarbamoylamino)purin-9-yl]phenyl]urea

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-dimethylaminoethylcarbamoylamino)purin-9-yl]phenyl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-dimethylaminoethylcarbamoylamino)purin-9-yl]phenyl]urea CAS Name: 1-[9-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-6-purinyl]-3-(2-dimethylaminoethyl)urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-dimethylaminoethylcarbamoylamino)purin-9-yl]phenyl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(2-dimethylaminoethylcarbamoylamino)purin-9-yl]phenyl]urea Formula: C24H23ClF3N9O2 MolecularWeight: 561.94673

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CN(C)CCNC(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C24H23ClF3N9O2/c1-36(2)10-9-29-22(38)35-20-19-21(31-12-30-20)37(13-32-19)16-6-3-14(4-7-16)33-23(39)34-15-5-8-18(25)17(11-15)24(26,27)28/h3-8,11-13H,9-10H2,1-2H3,(H2,33,34,39)(H2,29,30,31,35,38)