6-[(3,4-dichlorophenyl)methylamino]-9-(5-oxidanylpentyl)purine-2-carbonitrile

Systemtic Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(5-oxidanylpentyl)purine-2-carbonitrile Openeye Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(5-hydroxypentyl)purine-2-carbonitrile CAS Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(5-hydroxypentyl)-2-purinecarbonitrile IUPAC Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(5-hydroxypentyl)purine-2-carbonitrile Traditional Name: 6-[(3,4-dichlorobenzyl)amino]-9-(5-hydroxypentyl)purine-2-carbonitrile Formula: C18H18Cl2N6O MolecularWeight: 405.28112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=NC3=C2N=CN3CCCCCO)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=NC3=C2N=CN3CCCCCO)C#N)Cl)Cl

InChI

InChI=1S/C18H18Cl2N6O/c19-13-5-4-12(8-14(13)20)10-22-17-16-18(25-15(9-21)24-17)26(11-23-16)6-2-1-3-7-27/h4-5,8,11,27H,1-3,6-7,10H2,(H,22,24,25)