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

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-phenylphenyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-(2-phenylphenyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(2-phenylphenyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(2-phenylphenyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-(2-phenylphenyl)acetamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3C4=CC=CC=C4)N(C(=N2)CO)CCC

InChI

InChI=1S/C27H31N5O4/c1-3-5-16-31-25-24(30(15-4-2)22(18-33)29-25)26(35)32(27(31)36)17-23(34)28-21-14-10-9-13-20(21)19-11-7-6-8-12-19/h6-14,33H,3-5,15-18H2,1-2H3,(H,28,34)