3-[4-[(2S)-2-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-3-oxidanyl-propyl]imidazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(2S)-2-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-3-oxidanyl-propyl]imidazol-1-yl]propanenitrile Openeye Name: 3-[4-[(2S)-3-hydroxy-2-[[4-(2-naphthyl)pyrimidin-2-yl]amino]propyl]imidazol-1-yl]propanenitrile CAS Name: 3-[4-[(2S)-3-hydroxy-2-[[4-(2-naphthalenyl)-2-pyrimidinyl]amino]propyl]-1-imidazolyl]propanenitrile IUPAC Name: 3-[4-[(2S)-3-hydroxy-2-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]propyl]imidazol-1-yl]propanenitrile Traditional Name: 3-[4-[(2S)-3-hydroxy-2-[[4-(2-naphthyl)pyrimidin-2-yl]amino]propyl]imidazol-1-yl]propionitrile Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC=C3)NC(CC4=CN(C=N4)CCC#N)CO

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC=C3)N[C@@H](CC4=CN(C=N4)CCC#N)CO

InChI

InChI=1S/C23H22N6O/c24-9-3-11-29-14-20(26-16-29)13-21(15-30)27-23-25-10-8-22(28-23)19-7-6-17-4-1-2-5-18(17)12-19/h1-2,4-8,10,12,14,16,21,30H,3,11,13,15H2,(H,25,27,28)/t21-/m0/s1