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

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

Systemtic Name:4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzoate
Openeye Name:4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate
CAS Name:4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate
IUPAC Name:4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate
Traditional Name:4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoate
Formula: C18H20N7O2-
MolecularWeight: 366.3971
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C(=O)[O-])NC=N3


Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C(=O)[O-])NC=N3


InChI

InChI=1S/C18H21N7O2/c19-11-3-7-13(8-4-11)23-18-24-15-14(20-9-21-15)16(25-18)22-12-5-1-10(2-6-12)17(26)27/h1-2,5-6,9,11,13H,3-4,7-8,19H2,(H,26,27)(H3,20,21,22,23,24,25)/p-1


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