diethyl 5-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C28H37N7O4 MolecularWeight: 535.63788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)C(=O)OCC

InChI

InChI=1S/C28H37N7O4/c1-3-38-26(36)17-13-18(27(37)39-4-2)15-21(14-17)31-24-23-25(35(16-30-23)22-7-5-6-8-22)34-28(33-24)32-20-11-9-19(29)10-12-20/h13-16,19-20,22H,3-12,29H2,1-2H3,(H2,31,32,33,34)