4-[[8-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one

Systemtic Name: 4-[[8-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Openeye Name: 4-[[8-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one CAS Name: 4-[[8-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-(1H-imidazol-2-yl)-1-butanone IUPAC Name: 4-[[8-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Traditional Name: 4-[[8-[(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)N2C3=C(C(=NC=N3)NCCCC(=O)C4=NC=CN4)N=C2NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCC(=O)C4=NC=CN4)N=C2NC5CCC(CC5)N

InChI

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