6-[2-[[2-(2,4-dichlorophenyl)-6-piperazin-1-yl-pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[2-(2,4-dichlorophenyl)-6-piperazin-1-yl-pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[[2-(2,4-dichlorophenyl)-6-piperazin-1-yl-pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[[2-(2,4-dichlorophenyl)-6-(1-piperazinyl)-4-pyrimidinyl]amino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[[2-(2,4-dichlorophenyl)-6-piperazin-1-ylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[[2-(2,4-dichlorophenyl)-6-piperazino-pyrimidin-4-yl]amino]ethylamino]nicotinonitrile Formula: C22H22Cl2N8 MolecularWeight: 469.36968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1)C2=CC(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N

InChI

InChI=1S/C22H22Cl2N8/c23-16-2-3-17(18(24)11-16)22-30-20(12-21(31-22)32-9-7-26-8-10-32)28-6-5-27-19-4-1-15(13-25)14-29-19/h1-4,11-12,14,26H,5-10H2,(H,27,29)(H,28,30,31)