N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-3,4-dimethoxy-benzamide Formula: C27H38N8O3 MolecularWeight: 522.64242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

InChI

InChI=1S/C27H38N8O3/c1-37-21-12-7-17(15-22(21)38-2)26(36)30-14-13-29-24-23-25(35(16-31-23)20-5-3-4-6-20)34-27(33-24)32-19-10-8-18(28)9-11-19/h7,12,15-16,18-20H,3-6,8-11,13-14,28H2,1-2H3,(H,30,36)(H2,29,32,33,34)