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

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-7H-purin-6-yl]amino]benzamide Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzamide CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzamide IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzamide Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzamide Formula: C18H22N8O MolecularWeight: 366.42028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C(=O)N)NC=N3

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=C(C=C4)C(=O)N)NC=N3

InChI

InChI=1S/C18H22N8O/c19-11-3-7-13(8-4-11)24-18-25-16-14(21-9-22-16)17(26-18)23-12-5-1-10(2-6-12)15(20)27/h1-2,5-6,9,11,13H,3-4,7-8,19H2,(H2,20,27)(H3,21,22,23,24,25,26)