3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-(2-octadecylsulfanylethyl)propanamide

Systemtic Name: 3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-(2-octadecylsulfanylethyl)propanamide Openeye Name: 3-(2,4-dioxopyrimidin-1-yl)-N-(2-octadecylsulfanylethyl)propanamide CAS Name: 3-(2,4-dioxo-1-pyrimidinyl)-N-[2-(octadecylthio)ethyl]propanamide IUPAC Name: 3-(2,4-dioxopyrimidin-1-yl)-N-(2-octadecylsulfanylethyl)propanamide Traditional Name: 3-(2,4-diketopyrimidin-1-yl)-N-[2-(stearylthio)ethyl]propionamide Formula: C27H49N3O3S MolecularWeight: 495.76126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCNC(=O)CCN1C=CC(=O)NC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCNC(=O)CCN1C=CC(=O)NC1=O

InChI

InChI=1S/C27H49N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-34-24-20-28-25(31)18-21-30-22-19-26(32)29-27(30)33/h19,22H,2-18,20-21,23-24H2,1H3,(H,28,31)(H,29,32,33)