2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-cyclohexyl-N-methyl-ethanamide

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-cyclohexyl-N-methyl-ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-cyclohexyl-N-methyl-acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-cyclohexyl-N-methylacetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-cyclohexyl-N-methylacetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-cyclohexyl-N-methyl-acetamide Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)C3CCCCC3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)C3CCCCC3)N(C(=N2)CO)CCC

InChI

InChI=1S/C22H35N5O4/c1-4-6-13-26-20-19(25(12-5-2)17(15-28)23-20)21(30)27(22(26)31)14-18(29)24(3)16-10-8-7-9-11-16/h16,28H,4-15H2,1-3H3