6-[3-[[2-(2-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]amino]propyl]pyridine-3-carbonitrile

Systemtic Name: 6-[3-[[2-(2-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]amino]propyl]pyridine-3-carbonitrile Openeye Name: 6-[3-[[2-(2-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]amino]propyl]pyridine-3-carbonitrile CAS Name: 6-[3-[[2-(2-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]amino]propyl]-3-pyridinecarbonitrile IUPAC Name: 6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propyl]pyridine-3-carbonitrile Traditional Name: 6-[3-[[2-(2-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]amino]propyl]nicotinonitrile Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCCC2=NC=C(C=C2)C#N)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1NCCCC2=NC=C(C=C2)C#N)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H20ClN5/c1-14-15(2)26-21(18-7-3-4-8-19(18)22)27-20(14)24-11-5-6-17-10-9-16(12-23)13-25-17/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,24,26,27)