[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-(4-pyridyl)methanone CAS Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-(4-pyridyl)methanone Formula: C27H37N9O MolecularWeight: 503.64238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)C5=CC=NC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)C5=CC=NC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C27H37N9O/c28-19-5-7-20(8-6-19)32-27-33-24(23-25(34-27)36(17-30-23)22-3-1-2-4-22)31-21-11-15-35(16-12-21)26(37)18-9-13-29-14-10-18/h9-10,13-14,17,19-22H,1-8,11-12,15-16,28H2,(H2,31,32,33,34)