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

Systemtic Name: 6-[[3-[(3-chlorophenyl)methyl]phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-[(3-chlorophenyl)methyl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-[(3-chlorophenyl)methyl]phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-[(3-chlorophenyl)methyl]phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(3-chlorobenzyl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C23H21ClN6O MolecularWeight: 432.90544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H21ClN6O/c24-19-7-2-5-17(12-19)10-16-4-1-6-18(11-16)14-26-22-21-23(29-20(13-25)28-22)30(15-27-21)8-3-9-31/h1-2,4-7,11-12,15,31H,3,8-10,14H2,(H,26,28,29)