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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propionamide Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CCOC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CCOC3=CC=C(C=C3)C

InChI

InChI=1S/C27H39N5O4/c1-5-7-9-17-31-22(28-25-24(31)26(34)29-27(35)32(25)16-8-6-2)14-15-23(33)30(4)18-19-36-21-12-10-20(3)11-13-21/h10-13H,5-9,14-19H2,1-4H3,(H,29,34,35)