4-[2-[2-[(6-chloranylpyrimidin-4-yl)amino]ethylamino]-5-imidazol-1-yl-pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[(6-chloranylpyrimidin-4-yl)amino]ethylamino]-5-imidazol-1-yl-pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-[(6-chloropyrimidin-4-yl)amino]ethylamino]-5-imidazol-1-yl-pyrimidin-4-yl]benzonitrile CAS Name: 4-[2-[2-[(6-chloro-4-pyrimidinyl)amino]ethylamino]-5-(1-imidazolyl)-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-[2-[(6-chloropyrimidin-4-yl)amino]ethylamino]-5-imidazol-1-ylpyrimidin-4-yl]benzonitrile Traditional Name: 4-[2-[2-[(6-chloropyrimidin-4-yl)amino]ethylamino]-5-imidazol-1-yl-pyrimidin-4-yl]benzonitrile Formula: C20H16ClN9 MolecularWeight: 417.85434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=CC(=NC=N4)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=CC(=NC=N4)Cl

InChI

InChI=1S/C20H16ClN9/c21-17-9-18(28-12-27-17)24-5-6-25-20-26-11-16(30-8-7-23-13-30)19(29-20)15-3-1-14(10-22)2-4-15/h1-4,7-9,11-13H,5-6H2,(H,24,27,28)(H,25,26,29)