3-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzamide

Systemtic Name: 3-[[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzamide Openeye Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzamide CAS Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]methyl]benzamide IUPAC Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]benzamide Traditional Name: 3-[[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]methyl]benzamide Formula: C24H32N8O MolecularWeight: 448.56388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC(=C4)C(=O)N)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC(=C4)C(=O)N)NC5CCC(CC5)N

InChI

InChI=1S/C24H32N8O/c25-17-8-10-18(11-9-17)29-24-30-22(27-13-15-4-3-5-16(12-15)21(26)33)20-23(31-24)32(14-28-20)19-6-1-2-7-19/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,33)(H2,27,29,30,31)