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

Systemtic Name: 3-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]benzamide Openeye Name: 3-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]benzamide CAS Name: 3-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]benzamide IUPAC Name: 3-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]benzamide Traditional Name: 3-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]benzamide Formula: C24H32N6O4 MolecularWeight: 468.54868

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O4/c1-3-5-7-14-29-18(11-12-19(31)26-17-10-8-9-16(15-17)21(25)32)27-22-20(29)23(33)28-24(34)30(22)13-6-4-2/h8-10,15H,3-7,11-14H2,1-2H3,(H2,25,32)(H,26,31)(H,28,33,34)