2-azanyl-3-[4-[(4-chloranyl-2,6-dimethyl-phenyl)amino]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[4-[(4-chloranyl-2,6-dimethyl-phenyl)amino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-(4-chloro-2,6-dimethyl-anilino)pyrimidin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-(4-chloro-2,6-dimethylanilino)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[4-(4-chloro-2,6-dimethylanilino)pyrimidin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-(4-chloro-2,6-dimethyl-anilino)pyrimidin-2-yl]benzonitrile Formula: C19H16ClN5 MolecularWeight: 349.81684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2)C3=CC=CC(=C3N)C#N)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2)C3=CC=CC(=C3N)C#N)C)Cl

InChI

InChI=1S/C19H16ClN5/c1-11-8-14(20)9-12(2)18(11)24-16-6-7-23-19(25-16)15-5-3-4-13(10-21)17(15)22/h3-9H,22H2,1-2H3,(H,23,24,25)