piperidin-1-yl-[4-[[2-[(4-piperidin-1-ylcyclohexyl)amino]-9-pyrazin-2-yl-purin-6-yl]amino]phenyl]methanone

Systemtic Name: piperidin-1-yl-[4-[[2-[(4-piperidin-1-ylcyclohexyl)amino]-9-pyrazin-2-yl-purin-6-yl]amino]phenyl]methanone Openeye Name: 1-piperidyl-[4-[[2-[[4-(1-piperidyl)cyclohexyl]amino]-9-pyrazin-2-yl-purin-6-yl]amino]phenyl]methanone CAS Name: 1-piperidinyl-[4-[[2-[[4-(1-piperidinyl)cyclohexyl]amino]-9-(2-pyrazinyl)-6-purinyl]amino]phenyl]methanone IUPAC Name: piperidin-1-yl-[4-[[2-[(4-piperidin-1-ylcyclohexyl)amino]-9-pyrazin-2-ylpurin-6-yl]amino]phenyl]methanone Traditional Name: piperidino-[4-[[2-[(4-piperidinocyclohexyl)amino]-9-pyrazin-2-yl-purin-6-yl]amino]phenyl]methanone Formula: C32H40N10O MolecularWeight: 580.7264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCC(CC2)NC3=NC4=C(C(=N3)NC5=CC=C(C=C5)C(=O)N6CCCCC6)N=CN4C7=NC=CN=C7

Isomeric SMILES

C1CCN(CC1)C2CCC(CC2)NC3=NC4=C(C(=N3)NC5=CC=C(C=C5)C(=O)N6CCCCC6)N=CN4C7=NC=CN=C7

InChI

InChI=1S/C32H40N10O/c43-31(41-19-5-2-6-20-41)23-7-9-24(10-8-23)36-29-28-30(42(22-35-28)27-21-33-15-16-34-27)39-32(38-29)37-25-11-13-26(14-12-25)40-17-3-1-4-18-40/h7-10,15-16,21-22,25-26H,1-6,11-14,17-20H2,(H2,36,37,38,39)