2-chloranyl-9-cyclopentyl-N-[2-(pyridin-3-ylmethyl)piperidin-4-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[2-(pyridin-3-ylmethyl)piperidin-4-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[2-(3-pyridylmethyl)-4-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[2-(3-pyridinylmethyl)-4-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[2-(pyridin-3-ylmethyl)piperidin-4-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[2-(3-pyridylmethyl)-4-piperidyl]amine Formula: C21H26ClN7 MolecularWeight: 411.93104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCNC(C4)CC5=CN=CC=C5)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCNC(C4)CC5=CN=CC=C5)Cl

InChI

InChI=1S/C21H26ClN7/c22-21-27-19(18-20(28-21)29(13-25-18)17-5-1-2-6-17)26-15-7-9-24-16(11-15)10-14-4-3-8-23-12-14/h3-4,8,12-13,15-17,24H,1-2,5-7,9-11H2,(H,26,27,28)