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

Systemtic Name: 1-[3-(dimethylamino)propyl]-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea Openeye Name: 1-[3-(dimethylamino)propyl]-3-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]urea CAS Name: 1-[3-(dimethylamino)propyl]-3-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-[3-(dimethylamino)propyl]-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea Traditional Name: 1-[3-(dimethylamino)propyl]-3-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]urea Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCCN(C)C)NC2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCCN(C)C)NC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C22H27N7O/c1-16-7-8-18(26-22(30)25-11-5-13-29(2)3)14-20(16)28-21-24-12-9-19(27-21)17-6-4-10-23-15-17/h4,6-10,12,14-15H,5,11,13H2,1-3H3,(H,24,27,28)(H2,25,26,30)