4-[[2-chloranyl-6-(dimethylamino)purin-9-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-chloranyl-6-(dimethylamino)purin-9-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile CAS Name: 4-[[2-chloro-6-(dimethylamino)-9-purinyl]methyl]benzonitrile IUPAC Name: 4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile Traditional Name: 4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile Formula: C15H13ClN6 MolecularWeight: 312.75692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C15H13ClN6/c1-21(2)13-12-14(20-15(16)19-13)22(9-18-12)8-11-5-3-10(7-17)4-6-11/h3-6,9H,8H2,1-2H3