[4-[[6-aminocarbonyl-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purin-2-yl]amino]cyclohexyl]carbamic acid

Systemtic Name: [4-[[6-aminocarbonyl-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purin-2-yl]amino]cyclohexyl]carbamic acid Openeye Name: [4-[[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]amino]cyclohexyl]carbamic acid CAS Name: [4-[[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]amino]cyclohexyl]carbamic acid IUPAC Name: [4-[[6-carbamoyl-9-(2-methoxyphenyl)-8-oxo-7H-purin-2-yl]amino]cyclohexyl]carbamic acid Traditional Name: [4-[[6-carbamoyl-8-keto-9-(2-methoxyphenyl)-7H-purin-2-yl]amino]cyclohexyl]carbamic acid Formula: C20H23N7O5 MolecularWeight: 441.44052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)NC4CCC(CC4)NC(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)NC4CCC(CC4)NC(=O)O

InChI

InChI=1S/C20H23N7O5/c1-32-13-5-3-2-4-12(13)27-17-15(25-19(27)29)14(16(21)28)24-18(26-17)22-10-6-8-11(9-7-10)23-20(30)31/h2-5,10-11,23H,6-9H2,1H3,(H2,21,28)(H,25,29)(H,30,31)(H,22,24,26)