1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-pyrimidin-5-yl-benzimidazol-5-amine

Systemtic Name: 1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-pyrimidin-5-yl-benzimidazol-5-amine Openeye Name: 1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-pyrimidin-5-yl-benzimidazol-5-amine CAS Name: 1-[2-[[(1S)-1-phenylethyl]amino]-4-pyrimidinyl]-N-(5-pyrimidinyl)-5-benzimidazolamine IUPAC Name: 1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-pyrimidin-5-ylbenzimidazol-5-amine Traditional Name: [(1S)-1-phenylethyl]-[4-[5-(5-pyrimidylamino)benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C23H20N8 MolecularWeight: 408.4585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC5=CN=CN=C5

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC5=CN=CN=C5

InChI

InChI=1S/C23H20N8/c1-16(17-5-3-2-4-6-17)28-23-26-10-9-22(30-23)31-15-27-20-11-18(7-8-21(20)31)29-19-12-24-14-25-13-19/h2-16,29H,1H3,(H,26,28,30)/t16-/m0/s1