1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-quinolin-5-yl-urea

Systemtic Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-quinolin-5-yl-urea Openeye Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(5-quinolyl)urea CAS Name: 1-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-(5-quinolinyl)urea IUPAC Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-quinolin-5-ylurea Traditional Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(5-quinolyl)urea Formula: C26H21N7O MolecularWeight: 447.49124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC3=C2C=CC=N3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC3=C2C=CC=N3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C26H21N7O/c1-17-9-10-19(30-26(34)33-23-8-2-7-22-20(23)6-4-13-28-22)15-24(17)32-25-29-14-11-21(31-25)18-5-3-12-27-16-18/h2-16H,1H3,(H,29,31,32)(H2,30,33,34)