1-(4-chlorophenyl)-3-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)phenyl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)phenyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)phenyl]urea CAS Name: 1-(4-chlorophenyl)-3-[3-[2-(1-pyrrolidinyl)-4-pyrimidinyl]phenyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)phenyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[3-(2-pyrrolidinopyrimidin-4-yl)phenyl]urea Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=N2)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=N2)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O/c22-16-6-8-17(9-7-16)24-21(28)25-18-5-3-4-15(14-18)19-10-11-23-20(26-19)27-12-1-2-13-27/h3-11,14H,1-2,12-13H2,(H2,24,25,28)