4-[[4-[[6-chloranyl-3-(cyanomethyl)-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[6-chloranyl-3-(cyanomethyl)-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[6-chloro-3-(cyanomethyl)-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[6-chloro-3-(cyanomethyl)-1H-inden-5-yl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[6-chloro-3-(cyanomethyl)-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[6-chloro-3-(cyanomethyl)-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H15ClN6 MolecularWeight: 398.8477

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=CC(=C(C=C21)Cl)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)CC#N

Isomeric SMILES

C1C=C(C2=CC(=C(C=C21)Cl)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)CC#N

InChI

InChI=1S/C22H15ClN6/c23-19-11-16-4-3-15(7-9-24)18(16)12-20(19)28-21-8-10-26-22(29-21)27-17-5-1-14(13-25)2-6-17/h1-3,5-6,8,10-12H,4,7H2,(H2,26,27,28,29)