4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-(1H-imidazol-2-yl)-1-butanone IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Formula: C23H33N9O MolecularWeight: 451.56782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCC(=O)C4=NC=CN4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCC(=O)C4=NC=CN4)NC5CCC(CC5)N

InChI

InChI=1S/C23H33N9O/c24-15-7-9-16(10-8-15)29-23-30-21(25-11-3-6-18(33)20-26-12-13-27-20)19-22(31-23)32(14-28-19)17-4-1-2-5-17/h12-17H,1-11,24H2,(H,26,27)(H2,25,29,30,31)