2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-2-methyl-butan-1-ol

Systemtic Name: 2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-2-methyl-butan-1-ol Openeye Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-2-methyl-butan-1-ol CAS Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-2-methyl-1-butanol IUPAC Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-2-methylbutan-1-ol Traditional Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-2-methyl-butan-1-ol Formula: C21H35N7O MolecularWeight: 401.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CO)NC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N

Isomeric SMILES

CCC(C)(CO)NC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N

InChI

InChI=1S/C21H35N7O/c1-3-21(2,12-29)27-18-17-19(28(13-23-17)16-6-4-5-7-16)26-20(25-18)24-15-10-8-14(22)9-11-15/h13-16,29H,3-12,22H2,1-2H3,(H2,24,25,26,27)