6-[[3-(3-chlorophenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(3-chlorophenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(3-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(3-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(3-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(3-chlorophenyl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C22H19ClN6O MolecularWeight: 418.87886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H19ClN6O/c23-18-7-2-6-17(11-18)16-5-1-4-15(10-16)13-25-21-20-22(28-19(12-24)27-21)29(14-26-20)8-3-9-30/h1-2,4-7,10-11,14,30H,3,8-9,13H2,(H,25,27,28)