methyl 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H21N3O3S/c1-13-11-15(14-7-4-3-5-8-14)21-18(20-13)25-12-16(22)19-10-6-9-17(23)24-2/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,22)