N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-oxidanyl-undecyl]-N-hexyl-ethanamide

Systemtic Name: N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-oxidanyl-undecyl]-N-hexyl-ethanamide Openeye Name: N-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-2-hydroxy-undecyl]-N-hexyl-acetamide CAS Name: N-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-hydroxyundecyl]-N-hexylacetamide IUPAC Name: N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-hexylacetamide Traditional Name: N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)-2-hydroxy-undecyl]-N-hexyl-acetamide Formula: C26H45N5O4 MolecularWeight: 491.6666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)C(=O)C

Isomeric SMILES

CCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)C(=O)C

InChI

InChI=1S/C26H45N5O4/c1-5-6-7-14-17-30(21(2)32)19-22(33)16-13-11-9-8-10-12-15-18-31-25(34)23-24(27-20-28(23)3)29(4)26(31)35/h20,22,33H,5-19H2,1-4H3