N-cyclohexyl-2-[7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[3-benzyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]-N-cyclohexyl-N-methyl-acetamide CAS Name: N-cyclohexyl-2-[7-(2-furanylmethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-methylacetamide IUPAC Name: 2-[3-benzyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[3-benzyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]-N-cyclohexyl-N-methyl-acetamide Formula: C26H29N5O4 MolecularWeight: 475.53956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CN(C1CCCCC1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O4/c1-28(20-11-6-3-7-12-20)22(32)17-31-25(33)23-24(27-18-29(23)16-21-13-8-14-35-21)30(26(31)34)15-19-9-4-2-5-10-19/h2,4-5,8-10,13-14,18,20H,3,6-7,11-12,15-17H2,1H3