(3E)-1-(3,4-dichlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(3-methylphenyl)amino]methylidene]urea

Systemtic Name: (3E)-1-(3,4-dichlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(3-methylphenyl)amino]methylidene]urea Openeye Name: (3E)-1-(3,4-dichlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(3-methylanilino)methylene]urea CAS Name: (3E)-1-(3,4-dichlorophenyl)-3-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(3-methylanilino)methylidene]urea IUPAC Name: (3E)-1-(3,4-dichlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(3-methylanilino)methylidene]urea Traditional Name: (3E)-1-(3,4-dichlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(m-toluidino)methylene]urea Formula: C21H20Cl2N6O MolecularWeight: 443.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC(=O)NC2=CC(=C(C=C2)Cl)Cl)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N/C(=N\C(=O)NC2=CC(=C(C=C2)Cl)Cl)/NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H20Cl2N6O/c1-12-5-4-6-15(9-12)26-20(28-19-24-13(2)10-14(3)25-19)29-21(30)27-16-7-8-17(22)18(23)11-16/h4-11H,1-3H3,(H3,24,25,26,27,28,29,30)