4-[[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoyl-methyl-amino]methyl]benzamide

Systemtic Name: 4-[[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoyl-methyl-amino]methyl]benzamide Openeye Name: 4-[[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoyl-methyl-amino]methyl]benzamide CAS Name: 4-[[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]-methylamino]methyl]benzamide IUPAC Name: 4-[[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoyl-methylamino]methyl]benzamide Traditional Name: 4-[[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoyl-methyl-amino]methyl]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)N(C)CC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C26H36N6O4/c1-4-6-8-16-31-20(28-24-22(31)25(35)29-26(36)32(24)15-7-5-2)13-14-21(33)30(3)17-18-9-11-19(12-10-18)23(27)34/h9-12H,4-8,13-17H2,1-3H3,(H2,27,34)(H,29,35,36)