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

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-methyl-N-phenyl-acetamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)C3=CC=CC=C3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)C3=CC=CC=C3)N(C(=N2)CO)CCC

InChI

InChI=1S/C22H29N5O4/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/h7-11,28H,4-6,12-15H2,1-3H3