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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[2-(2-methoxyphenyl)ethyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[2-(2-methoxyphenyl)ethyl]propionamide Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCC3=CC=CC=C3OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCC3=CC=CC=C3OC

InChI

InChI=1S/C26H37N5O4/c1-4-6-10-18-30-21(28-24-23(30)25(33)29-26(34)31(24)17-7-5-2)13-14-22(32)27-16-15-19-11-8-9-12-20(19)35-3/h8-9,11-12H,4-7,10,13-18H2,1-3H3,(H,27,32)(H,29,33,34)