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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-methyl-N-p-anisyl-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)N(C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H37N5O4/c1-5-7-9-17-30-21(27-24-23(30)25(33)28-26(34)31(24)16-8-6-2)14-15-22(32)29(3)18-19-10-12-20(35-4)13-11-19/h10-13H,5-9,14-18H2,1-4H3,(H,28,33,34)