ethyl 4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzoate dihydrochloride

Systemtic Name: ethyl 4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzoate dihydrochloride Openeye Name: ethyl 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate dihydrochloride CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate dihydrochloride Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid ethyl ester dihydrochloride Formula: C20H27Cl2N7O2 MolecularWeight: 468.38008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C20H25N7O2.2ClH/c1-2-29-19(28)12-3-7-14(8-4-12)24-18-16-17(23-11-22-16)26-20(27-18)25-15-9-5-13(21)6-10-15;;/h3-4,7-8,11,13,15H,2,5-6,9-10,21H2,1H3,(H3,22,23,24,25,26,27);2*1H