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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-ethynylphenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(3-ethynylphenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(3-ethynylphenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(3-ethynylphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(3-ethynylphenyl)propionamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O3/c1-4-7-9-16-29-20(13-14-21(31)26-19-12-10-11-18(6-3)17-19)27-23-22(29)24(32)28-25(33)30(23)15-8-5-2/h3,10-12,17H,4-5,7-9,13-16H2,1-2H3,(H,26,31)(H,28,32,33)