2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoyl-heptyl-amino]phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoyl-heptyl-amino]phenyl]sulfanylpropanoic acid Openeye Name: 2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]-heptyl-amino]phenyl]sulfanylpropanoic acid CAS Name: 2-[[4-[[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)-1-oxoethyl]-heptylamino]phenyl]thio]propanoic acid IUPAC Name: 2-[4-[[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]-heptylamino]phenyl]sulfanylpropanoic acid Traditional Name: 2-[[4-[[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)acetyl]-heptyl-amino]phenyl]thio]propionic acid Formula: C30H37N3O4S MolecularWeight: 535.69748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)SC(C)C(=O)O)C(=O)CN2C(=O)C=C(N=C2CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)SC(C)C(=O)O)C(=O)CN2C(=O)C=C(N=C2CC)C3=CC=CC=C3

InChI

InChI=1S/C30H37N3O4S/c1-4-6-7-8-12-19-32(24-15-17-25(18-16-24)38-22(3)30(36)37)29(35)21-33-27(5-2)31-26(20-28(33)34)23-13-10-9-11-14-23/h9-11,13-18,20,22H,4-8,12,19,21H2,1-3H3,(H,36,37)