(3-propan-2-ylphenyl) 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoate

Systemtic Name: (3-propan-2-ylphenyl) 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoate Openeye Name: (3-isopropylphenyl) 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoate CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]propanoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]propanoate Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]propionic acid m-cumenyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)OC2=CC=CC(=C2)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)OC2=CC=CC(=C2)C(C)C

InChI

InChI=1S/C20H25N3O3S/c1-12(2)15-6-5-7-16(10-15)26-19(25)9-8-17-13(3)22-20(23-14(17)4)27-11-18(21)24/h5-7,10,12H,8-9,11H2,1-4H3,(H2,21,24)