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

Systemtic Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-yl-urea Openeye Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(3-pyridyl)urea CAS Name: 1-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylurea Traditional Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(3-pyridyl)urea Formula: C22H19N7O MolecularWeight: 397.43256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CN=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CN=CC=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C22H19N7O/c1-15-6-7-17(26-22(30)27-18-5-3-10-24-14-18)12-20(15)29-21-25-11-8-19(28-21)16-4-2-9-23-13-16/h2-14H,1H3,(H,25,28,29)(H2,26,27,30)