5-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]pentanenitrile

Systemtic Name: 5-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]pentanenitrile Openeye Name: 5-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]pentanenitrile CAS Name: 5-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]-9-purinyl]pentanenitrile IUPAC Name: 5-[6-[cyclopentyl-[(2,5-dimethylphenyl)methyl]amino]purin-9-yl]pentanenitrile Traditional Name: 5-[6-[cyclopentyl-(2,5-dimethylbenzyl)amino]purin-9-yl]valeronitrile Formula: C24H30N6 MolecularWeight: 402.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN(C2CCCC2)C3=NC=NC4=C3N=CN4CCCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN(C2CCCC2)C3=NC=NC4=C3N=CN4CCCCC#N

InChI

InChI=1S/C24H30N6/c1-18-10-11-19(2)20(14-18)15-30(21-8-4-5-9-21)24-22-23(26-16-27-24)29(17-28-22)13-7-3-6-12-25/h10-11,14,16-17,21H,3-9,13,15H2,1-2H3