9-cyclohexyl-8-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-cyclohexyl-8-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 9-cyclohexyl-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide CAS Name: 9-cyclohexyl-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-cyclohexyl-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 9-cyclohexyl-8-keto-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Formula: C21H25N5O5 MolecularWeight: 427.4537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4CCCCC4)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4CCCCC4)C(=O)N

InChI

InChI=1S/C21H25N5O5/c1-29-13-9-11(10-14(30-2)17(13)31-3)19-23-15(18(22)27)16-20(25-19)26(21(28)24-16)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H2,22,27)(H,24,28)