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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-ethynylphenyl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(3-ethynylphenyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(3-ethynylphenyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(3-ethynylphenyl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(3-ethynylphenyl)propionamide Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C24H29N5O3/c1-4-7-14-28-19(12-13-20(30)25-18-11-9-10-17(6-3)16-18)26-22-21(28)23(31)27-24(32)29(22)15-8-5-2/h3,9-11,16H,4-5,7-8,12-15H2,1-2H3,(H,25,30)(H,27,31,32)