3-[(1R)-1-(2-azanylpyrimidin-4-yl)-2,2-dipyridin-3-yl-ethyl]benzenecarbonitrile

Systemtic Name: 3-[(1R)-1-(2-azanylpyrimidin-4-yl)-2,2-dipyridin-3-yl-ethyl]benzenecarbonitrile Openeye Name: 3-[(1R)-1-(2-aminopyrimidin-4-yl)-2,2-bis(3-pyridyl)ethyl]benzonitrile CAS Name: 3-[(1R)-1-(2-amino-4-pyrimidinyl)-2,2-bis(3-pyridinyl)ethyl]benzonitrile IUPAC Name: 3-[(1R)-1-(2-aminopyrimidin-4-yl)-2,2-dipyridin-3-ylethyl]benzonitrile Traditional Name: 3-[(1R)-1-(2-aminopyrimidin-4-yl)-2,2-bis(3-pyridyl)ethyl]benzonitrile Formula: C23H18N6 MolecularWeight: 378.42922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(C2=NC(=NC=C2)N)C(C3=CN=CC=C3)C4=CN=CC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[C@H](C2=NC(=NC=C2)N)C(C3=CN=CC=C3)C4=CN=CC=C4)C#N

InChI

InChI=1S/C23H18N6/c24-13-16-4-1-5-17(12-16)22(20-8-11-28-23(25)29-20)21(18-6-2-9-26-14-18)19-7-3-10-27-15-19/h1-12,14-15,21-22H,(H2,25,28,29)/t22-/m1/s1