3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(5-ethylthiophen-2-yl)methyl]propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(5-ethylthiophen-2-yl)methyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[(5-ethyl-2-thienyl)methyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[(5-ethyl-2-thiophenyl)methyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[(5-ethylthiophen-2-yl)methyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[(5-ethyl-2-thienyl)methyl]propionamide Formula: C24H35N5O3S MolecularWeight: 473.6314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(S3)CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(S3)CC

InChI

InChI=1S/C24H35N5O3S/c1-4-7-9-15-28-19(12-13-20(30)25-16-18-11-10-17(6-3)33-18)26-22-21(28)23(31)27-24(32)29(22)14-8-5-2/h10-11H,4-9,12-16H2,1-3H3,(H,25,30)(H,27,31,32)