6-[(4-chlorophenyl)methylamino]-9-(4-oxidanylbutyl)purine-2-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)methylamino]-9-(4-oxidanylbutyl)purine-2-carbonitrile Openeye Name: 6-[(4-chlorophenyl)methylamino]-9-(4-hydroxybutyl)purine-2-carbonitrile CAS Name: 6-[(4-chlorophenyl)methylamino]-9-(4-hydroxybutyl)-2-purinecarbonitrile IUPAC Name: 6-[(4-chlorophenyl)methylamino]-9-(4-hydroxybutyl)purine-2-carbonitrile Traditional Name: 6-[(4-chlorobenzyl)amino]-9-(4-hydroxybutyl)purine-2-carbonitrile Formula: C17H17ClN6O MolecularWeight: 356.80948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC3=C2N=CN3CCCCO)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC3=C2N=CN3CCCCO)C#N)Cl

InChI

InChI=1S/C17H17ClN6O/c18-13-5-3-12(4-6-13)10-20-16-15-17(23-14(9-19)22-16)24(11-21-15)7-1-2-8-25/h3-6,11,25H,1-2,7-8,10H2,(H,20,22,23)