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

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-methyl-acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-methylacetamide Traditional Name: N-benzyl-2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-methyl-acetamide Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)CC3=CC=CC=C3)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(C)CC3=CC=CC=C3)N(C(=N2)CO)CCC

InChI

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