1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[8-methoxy-6-(methylamino)purin-9-yl]phenyl]urea

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[8-methoxy-6-(methylamino)purin-9-yl]phenyl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-methoxy-6-(methylamino)purin-9-yl]phenyl]urea CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-methoxy-6-(methylamino)-9-purinyl]phenyl]urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-methoxy-6-(methylamino)purin-9-yl]phenyl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-methoxy-6-(methylamino)purin-9-yl]phenyl]urea Formula: C21H17ClF3N7O2 MolecularWeight: 491.85359

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=C(N2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)OC

Isomeric SMILES

CNC1=NC=NC2=C1N=C(N2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)OC

InChI

InChI=1S/C21H17ClF3N7O2/c1-26-17-16-18(28-10-27-17)32(20(31-16)34-2)13-6-3-11(4-7-13)29-19(33)30-12-5-8-15(22)14(9-12)21(23,24)25/h3-10H,1-2H3,(H,26,27,28)(H2,29,30,33)