3-azanyl-4-oxidanylidene-4-[3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propoxy]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propoxy]butanoic acid Openeye Name: 3-amino-4-oxo-4-[3-(4-oxo-5-tetradecyl-2-thioxo-1H-pyrimidin-6-yl)propoxy]butanoic acid CAS Name: 3-amino-4-oxo-4-[3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propoxy]butanoic acid IUPAC Name: 3-amino-4-oxo-4-[3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propoxy]butanoic acid Traditional Name: 3-amino-4-keto-4-[3-(4-keto-5-myristyl-2-thioxo-1H-pyrimidin-6-yl)propoxy]butyric acid Formula: C25H43N3O5S MolecularWeight: 497.69102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCOC(=O)C(CC(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCOC(=O)C(CC(=O)O)N

InChI

InChI=1S/C25H43N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-21(27-25(34)28-23(19)31)16-14-17-33-24(32)20(26)18-22(29)30/h20H,2-18,26H2,1H3,(H,29,30)(H2,27,28,31,34)