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

Systemtic Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea Openeye Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea CAS Name: 1-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-[3-(1-pyrrolidinyl)phenyl]urea IUPAC Name: 1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea Traditional Name: 1-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3-(3-pyrrolidinophenyl)urea Formula: C27H27N7O MolecularWeight: 465.54958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)N3CCCC3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C27H27N7O/c1-19-9-10-22(31-27(35)30-21-7-4-8-23(16-21)34-14-2-3-15-34)17-25(19)33-26-29-13-11-24(32-26)20-6-5-12-28-18-20/h4-13,16-18H,2-3,14-15H2,1H3,(H,29,32,33)(H2,30,31,35)