N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine

Systemtic Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-(2,2-dimethylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: neopentyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C24H28N6 MolecularWeight: 400.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC(C)(C)C

InChI

InChI=1S/C24H28N6/c1-17(18-8-6-5-7-9-18)28-23-25-13-12-22(29-23)30-16-27-20-14-19(10-11-21(20)30)26-15-24(2,3)4/h5-14,16-17,26H,15H2,1-4H3,(H,25,28,29)