4-[[3,5-bis(2-cyanopropan-2-yl)-4H-pyrimidin-2-yl]-(phenylmethyl)amino]benzenecarbonitrile

Systemtic Name: 4-[[3,5-bis(2-cyanopropan-2-yl)-4H-pyrimidin-2-yl]-(phenylmethyl)amino]benzenecarbonitrile Openeye Name: 4-[benzyl-[3,5-bis(1-cyano-1-methyl-ethyl)-4H-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[3,5-bis(2-cyanopropan-2-yl)-4H-pyrimidin-2-yl]-(phenylmethyl)amino]benzonitrile IUPAC Name: 4-[benzyl-[3,5-bis(2-cyanopropan-2-yl)-4H-pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[benzyl-[3,5-bis(1-cyano-1-methyl-ethyl)-4H-pyrimidin-2-yl]amino]benzonitrile Formula: C26H26N6 MolecularWeight: 422.52484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CN=C(N(C1)C(C)(C)C#N)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C#N)C1=CN=C(N(C1)C(C)(C)C#N)N(CC2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H26N6/c1-25(2,18-28)22-15-30-24(32(17-22)26(3,4)19-29)31(16-21-8-6-5-7-9-21)23-12-10-20(14-27)11-13-23/h5-13,15H,16-17H2,1-4H3