4-[[4-[[4-[(E)-2-cyanoethenyl]-2-methyl-6-propan-2-yl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-[(E)-2-cyanoethenyl]-2-methyl-6-propan-2-yl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-isopropyl-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methyl-6-propan-2-ylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-[(E)-2-cyanoethenyl]-2-methyl-6-propan-2-ylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-isopropyl-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C24H22N6 MolecularWeight: 394.47168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C=CC#N)C(C)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)/C=C/C#N)C(C)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H22N6/c1-16(2)21-14-19(5-4-11-25)13-17(3)23(21)29-22-10-12-27-24(30-22)28-20-8-6-18(15-26)7-9-20/h4-10,12-14,16H,1-3H3,(H2,27,28,29,30)/b5-4+