1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-3-methyl-but-2-en-1-one Formula: C26H40N8O MolecularWeight: 480.6488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)C

Isomeric SMILES

CC(=CC(=O)N1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)C

InChI

InChI=1S/C26H40N8O/c1-17(2)15-22(35)33-13-11-20(12-14-33)29-24-23-25(34(16-28-23)21-5-3-4-6-21)32-26(31-24)30-19-9-7-18(27)8-10-19/h15-16,18-21H,3-14,27H2,1-2H3,(H2,29,30,31,32)