2-[4-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]phenyl]acetonitrile CAS Name: 2-[4-[(2-chloro-9-cyclopentyl-6-purinyl)amino]phenyl]acetonitrile IUPAC Name: 2-[4-[(2-chloro-9-cyclopentylpurin-6-yl)amino]phenyl]acetonitrile Traditional Name: 2-[4-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]phenyl]acetonitrile Formula: C18H17ClN6 MolecularWeight: 352.82078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)CC#N)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)CC#N)Cl

InChI

InChI=1S/C18H17ClN6/c19-18-23-16(22-13-7-5-12(6-8-13)9-10-20)15-17(24-18)25(11-21-15)14-3-1-2-4-14/h5-8,11,14H,1-4,9H2,(H,22,23,24)