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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)C)Cl

InChI

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