1-(4-chlorophenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea CAS Name: 1-(4-chlorophenyl)-3-[4-[(2-methyl-6-propoxy-4-pyrimidinyl)amino]phenyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H22ClN5O2/c1-3-12-29-20-13-19(23-14(2)24-20)25-16-8-10-18(11-9-16)27-21(28)26-17-6-4-15(22)5-7-17/h4-11,13H,3,12H2,1-2H3,(H,23,24,25)(H2,26,27,28)