2-chloranyl-9-cyclopentyl-N-[4-[(3-phenoxyphenyl)methyl]piperidin-1-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-[(3-phenoxyphenyl)methyl]piperidin-1-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[4-[(3-phenoxyphenyl)methyl]-1-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-[(3-phenoxyphenyl)methyl]-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-[(3-phenoxyphenyl)methyl]piperidin-1-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[4-(3-phenoxybenzyl)piperidino]amine Formula: C28H31ClN6O MolecularWeight: 503.03834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC(=CC=C5)OC6=CC=CC=C6)Cl

InChI

InChI=1S/C28H31ClN6O/c29-28-31-26(25-27(32-28)35(19-30-25)22-8-4-5-9-22)33-34-15-13-20(14-16-34)17-21-7-6-12-24(18-21)36-23-10-2-1-3-11-23/h1-3,6-7,10-12,18-20,22H,4-5,8-9,13-17H2,(H,31,32,33)