3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl 2-azanylethanoate

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl 2-azanylethanoate Openeye Name: 3-(4-oxo-5-tetradecyl-2-thioxo-1H-pyrimidin-6-yl)propyl 2-aminoacetate CAS Name: 2-aminoacetic acid 3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl ester IUPAC Name: 3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl 2-aminoacetate Traditional Name: 2-aminoacetic acid 3-(4-keto-5-myristyl-2-thioxo-1H-pyrimidin-6-yl)propyl ester Formula: C23H41N3O3S MolecularWeight: 439.65494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCOC(=O)CN

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCOC(=O)CN

InChI

InChI=1S/C23H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-20(25-23(30)26-22(19)28)16-14-17-29-21(27)18-24/h2-18,24H2,1H3,(H2,25,26,28,30)