6-[[3-(4-chlorophenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(4-chlorophenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(4-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(4-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(4-chlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(4-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

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