3-[[4-[2-[(3-chlorophenyl)amino]-5-pyridin-2-yl-pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-[2-[(3-chlorophenyl)amino]-5-pyridin-2-yl-pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol Openeye Name: 3-[[4-[2-(3-chloroanilino)-5-(2-pyridyl)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol CAS Name: 3-[[4-[2-(3-chloroanilino)-5-(2-pyridinyl)-4-pyrimidinyl]-2-pyridinyl]amino]-1-propanol IUPAC Name: 3-[[4-[2-(3-chloroanilino)-5-pyridin-2-ylpyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol Traditional Name: 3-[[4-[2-(3-chloroanilino)-5-(2-pyridyl)pyrimidin-4-yl]-2-pyridyl]amino]propan-1-ol Formula: C23H21ClN6O MolecularWeight: 432.90544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CN=C(N=C2C3=CC(=NC=C3)NCCCO)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=NC(=C1)C2=CN=C(N=C2C3=CC(=NC=C3)NCCCO)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H21ClN6O/c24-17-5-3-6-18(14-17)29-23-28-15-19(20-7-1-2-9-25-20)22(30-23)16-8-11-27-21(13-16)26-10-4-12-31/h1-3,5-9,11,13-15,31H,4,10,12H2,(H,26,27)(H,28,29,30)