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

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-3-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]urea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-3-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]urea Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2=CC=C(C=C2)N(C)C)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2=CC=C(C=C2)N(C)C)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C26H27N7O/c1-18-6-9-21(30-26(34)29-16-19-7-10-22(11-8-19)33(2)3)15-24(18)32-25-28-14-12-23(31-25)20-5-4-13-27-17-20/h4-15,17H,16H2,1-3H3,(H,28,31,32)(H2,29,30,34)