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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[6-(prop-2-enylcarbamoylamino)purin-9-yl]phenyl]urea Openeye Name: 1-allyl-3-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]urea CAS Name: 1-[9-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-6-purinyl]-3-prop-2-enylurea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(prop-2-enylcarbamoylamino)purin-9-yl]phenyl]urea Traditional Name: 1-allyl-3-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]urea Formula: C23H18ClF3N8O2 MolecularWeight: 530.88963

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C23H18ClF3N8O2/c1-2-9-28-21(36)34-19-18-20(30-11-29-19)35(12-31-18)15-6-3-13(4-7-15)32-22(37)33-14-5-8-17(24)16(10-14)23(25,26)27/h2-8,10-12H,1,9H2,(H2,32,33,37)(H2,28,29,30,34,36)