4-[[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethylamino]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethylamino]methyl]benzonitrile CAS Name: 4-[[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethylamino]methyl]benzonitrile IUPAC Name: 4-[[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethylamino]methyl]benzonitrile Traditional Name: 4-[[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethylamino]methyl]benzonitrile Formula: C20H22ClN7 MolecularWeight: 395.88858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C20H22ClN7/c21-20-26-18(17-19(27-20)28(13-25-17)16-3-1-2-4-16)24-10-9-23-12-15-7-5-14(11-22)6-8-15/h5-8,13,16,23H,1-4,9-10,12H2,(H,24,26,27)