1-[4-[(4,6-dimethylpyrimidin-2-yl)methylamino]phenyl]-3-quinolin-4-yl-urea dihydrochloride

Systemtic Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)methylamino]phenyl]-3-quinolin-4-yl-urea dihydrochloride Openeye Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)methylamino]phenyl]-3-(4-quinolyl)urea dihydrochloride CAS Name: 1-[4-[(4,6-dimethyl-2-pyrimidinyl)methylamino]phenyl]-3-(4-quinolinyl)urea dihydrochloride IUPAC Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)methylamino]phenyl]-3-quinolin-4-ylurea dihydrochloride Traditional Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)methylamino]phenyl]-3-(4-quinolyl)urea dihydrochloride Formula: C23H24Cl2N6O MolecularWeight: 471.38226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CNC2=CC=C(C=C2)NC(=O)NC3=CC=NC4=CC=CC=C43)C.Cl.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)CNC2=CC=C(C=C2)NC(=O)NC3=CC=NC4=CC=CC=C43)C.Cl.Cl

InChI

InChI=1S/C23H22N6O.2ClH/c1-15-13-16(2)27-22(26-15)14-25-17-7-9-18(10-8-17)28-23(30)29-21-11-12-24-20-6-4-3-5-19(20)21;;/h3-13,25H,14H2,1-2H3,(H2,24,28,29,30);2*1H