4-[[2-chloranyl-9-(phenylmethyl)purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[2-chloranyl-9-(phenylmethyl)purin-6-yl]amino]benzenecarbonitrile Openeye Name: 4-[(9-benzyl-2-chloro-purin-6-yl)amino]benzonitrile CAS Name: 4-[[2-chloro-9-(phenylmethyl)-6-purinyl]amino]benzonitrile IUPAC Name: 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzonitrile Traditional Name: 4-[(9-benzyl-2-chloro-purin-6-yl)amino]benzonitrile Formula: C19H13ClN6 MolecularWeight: 360.79972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C19H13ClN6/c20-19-24-17(23-15-8-6-13(10-21)7-9-15)16-18(25-19)26(12-22-16)11-14-4-2-1-3-5-14/h1-9,12H,11H2,(H,23,24,25)