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

Systemtic Name: N-tert-butyl-2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]acetamide CAS Name: N-tert-butyl-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]acetamide Traditional Name: N-benzyl-N-tert-butyl-2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)acetamide Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O4/c1-6-8-15-29-23-22(28(14-7-2)20(18-32)27-23)24(34)30(25(29)35)17-21(33)31(26(3,4)5)16-19-12-10-9-11-13-19/h9-13,32H,6-8,14-18H2,1-5H3