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

Systemtic Name: butyl 4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzoate Openeye Name: butyl 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid butyl ester Formula: C22H29N7O2 MolecularWeight: 423.51136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O2/c1-2-3-12-31-21(30)14-4-8-16(9-5-14)26-20-18-19(25-13-24-18)28-22(29-20)27-17-10-6-15(23)7-11-17/h4-5,8-9,13,15,17H,2-3,6-7,10-12,23H2,1H3,(H3,24,25,26,27,28,29)