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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-ethyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-ethylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-benzyl-N-ethyl-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)N(CC)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O3/c1-4-7-12-18-30-21(15-16-22(32)29(6-3)19-20-13-10-9-11-14-20)27-24-23(30)25(33)28-26(34)31(24)17-8-5-2/h9-11,13-14H,4-8,12,15-19H2,1-3H3,(H,28,33,34)