N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloranyl-4-methoxy-phenoxy)-6-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloranyl-4-methoxy-phenoxy)-6-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloro-4-methoxy-phenoxy)-6-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloro-4-methoxyphenoxy)-6-(3,5-dimethyl-1-piperazinyl)-2-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(2-chloro-4-methoxyphenoxy)-6-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[4-(2-chloro-4-methoxy-phenoxy)-6-(3,5-dimethylpiperazino)pyrimidin-2-yl]amine Formula: C25H28ClN7O2 MolecularWeight: 493.98852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=NC(=N2)NCC3=NC4=CC=CC=C4N3)OC5=C(C=C(C=C5)OC)Cl

Isomeric SMILES

CC1CN(CC(N1)C)C2=CC(=NC(=N2)NCC3=NC4=CC=CC=C4N3)OC5=C(C=C(C=C5)OC)Cl

InChI

InChI=1S/C25H28ClN7O2/c1-15-13-33(14-16(2)28-15)23-11-24(35-21-9-8-17(34-3)10-18(21)26)32-25(31-23)27-12-22-29-19-6-4-5-7-20(19)30-22/h4-11,15-16,28H,12-14H2,1-3H3,(H,29,30)(H,27,31,32)