3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(1-thiophen-2-ylethyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(1-thiophen-2-ylethyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[1-(2-thienyl)ethyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(1-thiophen-2-ylethyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(1-thiophen-2-ylethyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[1-(2-thienyl)ethyl]propionamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC(C)C3=CC=CS3

InChI

InChI=1S/C23H33N5O3S/c1-4-6-8-14-27-18(11-12-19(29)24-16(3)17-10-9-15-32-17)25-21-20(27)22(30)26-23(31)28(21)13-7-5-2/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,24,29)(H,26,30,31)