3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-mesityl-propionamide Formula: C26H37N5O3 MolecularWeight: 467.60368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C26H37N5O3/c1-6-8-10-14-30-20(11-12-21(32)28-22-18(4)15-17(3)16-19(22)5)27-24-23(30)25(33)29-26(34)31(24)13-9-7-2/h15-16H,6-14H2,1-5H3,(H,28,32)(H,29,33,34)