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

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-yl-6-purinyl]amino]-1-(1H-imidazol-2-yl)-1-butanone IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]-1-(1H-imidazol-2-yl)butan-1-one Formula: C21H31N9O MolecularWeight: 425.53054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCCC(=O)C3=NC=CN3)NC4CCC(CC4)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCCC(=O)C3=NC=CN3)NC4CCC(CC4)N

InChI

InChI=1S/C21H31N9O/c1-13(2)30-12-26-17-19(23-9-3-4-16(31)18-24-10-11-25-18)28-21(29-20(17)30)27-15-7-5-14(22)6-8-15/h10-15H,3-9,22H2,1-2H3,(H,24,25)(H2,23,27,28,29)