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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(4-methylpentyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-isohexyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(4-methylpentyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(4-methylpentyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-isohexyl-propionamide Formula: C23H39N5O3 MolecularWeight: 433.58746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCC(C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCC(C)C

InChI

InChI=1S/C23H39N5O3/c1-5-7-9-16-27-18(12-13-19(29)24-14-10-11-17(3)4)25-21-20(27)22(30)26-23(31)28(21)15-8-6-2/h17H,5-16H2,1-4H3,(H,24,29)(H,26,30,31)