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

Systemtic Name: 3-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]-N-ethyl-benzamide Openeye Name: 3-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]-N-ethyl-benzamide CAS Name: 3-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]-N-ethylbenzamide IUPAC Name: 3-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]-N-ethylbenzamide Traditional Name: 3-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]-N-ethyl-benzamide Formula: C26H36N6O4 MolecularWeight: 496.60184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C(=O)NCC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C(=O)NCC

InChI

InChI=1S/C26H36N6O4/c1-4-7-9-16-31-20(29-23-22(31)25(35)30-26(36)32(23)15-8-5-2)13-14-21(33)28-19-12-10-11-18(17-19)24(34)27-6-3/h10-12,17H,4-9,13-16H2,1-3H3,(H,27,34)(H,28,33)(H,30,35,36)