N-(3-chlorophenyl)-4-[2-(2-imidazol-1-ylethylamino)pyridin-4-yl]pyrimidin-2-amine

Systemtic Name: N-(3-chlorophenyl)-4-[2-(2-imidazol-1-ylethylamino)pyridin-4-yl]pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-4-[2-(2-imidazol-1-ylethylamino)-4-pyridyl]pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-4-[2-[2-(1-imidazolyl)ethylamino]-4-pyridinyl]-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-4-[2-(2-imidazol-1-ylethylamino)pyridin-4-yl]pyrimidin-2-amine Traditional Name: [4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-(2-imidazol-1-ylethyl)amine Formula: C20H18ClN7 MolecularWeight: 391.85682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCN4C=CN=C4

InChI

InChI=1S/C20H18ClN7/c21-16-2-1-3-17(13-16)26-20-25-7-5-18(27-20)15-4-6-23-19(12-15)24-9-11-28-10-8-22-14-28/h1-8,10,12-14H,9,11H2,(H,23,24)(H,25,26,27)