N-(5-acetamido-2-methyl-phenyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide

Systemtic Name: N-(5-acetamido-2-methyl-phenyl)-3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanamide Openeye Name: N-(5-acetamido-2-methyl-phenyl)-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanamide CAS Name: N-(5-acetamido-2-methylphenyl)-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanamide IUPAC Name: N-(5-acetamido-2-methylphenyl)-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanamide Traditional Name: N-(5-acetamido-2-methyl-phenyl)-3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionamide Formula: C26H36N6O4 MolecularWeight: 496.60184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)NC(=O)C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=CC(=C3)NC(=O)C)C

InChI

InChI=1S/C26H36N6O4/c1-5-7-9-15-31-21(29-24-23(31)25(35)30-26(36)32(24)14-8-6-2)12-13-22(34)28-20-16-19(27-18(4)33)11-10-17(20)3/h10-11,16H,5-9,12-15H2,1-4H3,(H,27,33)(H,28,34)(H,30,35,36)