4-[[4-[(4-chloranyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-chloranyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-chloro-2,6-dimethyl-anilino)-5-methyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-chloro-2,6-dimethylanilino)-5-methyl-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-chloro-2,6-dimethylanilino)-5-methylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-chloro-2,6-dimethyl-anilino)-5-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C20H18ClN5 MolecularWeight: 363.84342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)C)Cl

InChI

InChI=1S/C20H18ClN5/c1-12-8-16(21)9-13(2)18(12)25-19-14(3)11-23-20(26-19)24-17-6-4-15(10-22)5-7-17/h4-9,11H,1-3H3,(H2,23,24,25,26)