N-(2-chloranyl-6-methyl-phenyl)-1-[6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]benzimidazol-2-amine

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-1-[6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]benzimidazol-2-amine Openeye Name: N-(2-chloro-6-methyl-phenyl)-1-[6-(3-morpholinopropylamino)pyrimidin-4-yl]benzimidazol-2-amine CAS Name: N-(2-chloro-6-methylphenyl)-1-[6-[3-(4-morpholinyl)propylamino]-4-pyrimidinyl]-2-benzimidazolamine IUPAC Name: N-(2-chloro-6-methylphenyl)-1-[6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]benzimidazol-2-amine Traditional Name: [6-[2-(2-chloro-6-methyl-anilino)benzimidazol-1-yl]pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C25H28ClN7O MolecularWeight: 477.98912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC2=NC3=CC=CC=C3N2C4=CC(=NC=N4)NCCCN5CCOCC5

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC2=NC3=CC=CC=C3N2C4=CC(=NC=N4)NCCCN5CCOCC5

InChI

InChI=1S/C25H28ClN7O/c1-18-6-4-7-19(26)24(18)31-25-30-20-8-2-3-9-21(20)33(25)23-16-22(28-17-29-23)27-10-5-11-32-12-14-34-15-13-32/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,30,31)(H,27,28,29)