2-[3-butyl-7-(furan-2-ylmethyl)-2-oxidanylidene-purin-6-yl]oxy-N-(2-methylcyclohexyl)ethanamide

Systemtic Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2-oxidanylidene-purin-6-yl]oxy-N-(2-methylcyclohexyl)ethanamide Openeye Name: 2-[3-butyl-7-(2-furylmethyl)-2-oxo-purin-6-yl]oxy-N-(2-methylcyclohexyl)acetamide CAS Name: 2-[[3-butyl-7-(2-furanylmethyl)-2-oxo-6-purinyl]oxy]-N-(2-methylcyclohexyl)acetamide IUPAC Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2-oxopurin-6-yl]oxy-N-(2-methylcyclohexyl)acetamide Traditional Name: 2-[3-butyl-7-(2-furfuryl)-2-keto-purin-6-yl]oxy-N-(2-methylcyclohexyl)acetamide Formula: C23H31N5O4 MolecularWeight: 441.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC1=O)OCC(=O)NC3CCCCC3C)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=NC1=O)OCC(=O)NC3CCCCC3C)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C23H31N5O4/c1-3-4-11-28-21-20(27(15-24-21)13-17-9-7-12-31-17)22(26-23(28)30)32-14-19(29)25-18-10-6-5-8-16(18)2/h7,9,12,15-16,18H,3-6,8,10-11,13-14H2,1-2H3,(H,25,29)