N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzamide dihydrochloride

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzamide dihydrochloride Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzamide dihydrochloride CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]benzamide dihydrochloride IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]benzamide dihydrochloride Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzamide dihydrochloride Formula: C23H31Cl2N7O MolecularWeight: 492.44454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC(=O)C4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC(=O)C4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C23H29N7O.2ClH/c24-16-10-12-17(13-11-16)26-23-28-20(27-22(31)15-6-2-1-3-7-15)19-21(29-23)30(14-25-19)18-8-4-5-9-18;;/h1-3,6-7,14,16-18H,4-5,8-13,24H2,(H2,26,27,28,29,31);2*1H