ethyl 3-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzoate

Systemtic Name: ethyl 3-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzoate Openeye Name: ethyl 3-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate CAS Name: 3-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate Traditional Name: 3-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid ethyl ester Formula: C20H25N7O2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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