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

Systemtic Name: 1-[9-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-1-(2-dimethylaminoethyl)-3-ethyl-urea Openeye Name: 1-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-1-(2-dimethylaminoethyl)-3-ethyl-urea CAS Name: 1-[9-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-6-purinyl]-1-(2-dimethylaminoethyl)-3-ethylurea IUPAC Name: 1-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-1-(2-dimethylaminoethyl)-3-ethylurea Traditional Name: 1-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-1-(2-dimethylaminoethyl)-3-ethyl-urea Formula: C26H27ClF3N9O2 MolecularWeight: 589.99989

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CCN(C)C)C1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CCNC(=O)N(CCN(C)C)C1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C26H27ClF3N9O2/c1-4-31-25(41)38(12-11-37(2)3)22-21-23(33-14-32-22)39(15-34-21)18-8-5-16(6-9-18)35-24(40)36-17-7-10-20(27)19(13-17)26(28,29)30/h5-10,13-15H,4,11-12H2,1-3H3,(H,31,41)(H2,35,36,40)