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

Systemtic Name: 1-(3-methylphenyl)-3-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]urea Openeye Name: 1-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[4-[(2-methyl-6-propoxy-4-pyrimidinyl)amino]phenyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea Traditional Name: 1-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]-3-(m-tolyl)urea Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-4-12-29-21-14-20(23-16(3)24-21)25-17-8-10-18(11-9-17)26-22(28)27-19-7-5-6-15(2)13-19/h5-11,13-14H,4,12H2,1-3H3,(H,23,24,25)(H2,26,27,28)