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

Systemtic Name: 6-[[3-(3,4-dichlorophenyl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(3,4-dichlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(3,4-dichlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(3,4-dichlorophenyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(3,4-dichlorophenyl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C22H18Cl2N6O MolecularWeight: 453.32392

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18Cl2N6O/c23-17-6-5-16(10-18(17)24)15-4-1-3-14(9-15)12-26-21-20-22(29-19(11-25)28-21)30(13-27-20)7-2-8-31/h1,3-6,9-10,13,31H,2,7-8,12H2,(H,26,28,29)