4-[[4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(1-piperazinylsulfonyl)phenyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-piperazinosulfonylphenyl)pyrimidin-2-yl]amino]benzonitrile Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N6O2S/c22-15-16-1-5-18(6-2-16)25-21-24-10-9-20(26-21)17-3-7-19(8-4-17)30(28,29)27-13-11-23-12-14-27/h1-10,23H,11-14H2,(H,24,25,26)