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

Systemtic Name: methyl 4-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-15-12-19(17-6-4-3-5-7-17)25-22(24-15)29-14-20(26)23-13-16-8-10-18(11-9-16)21(27)28-2/h3-12H,13-14H2,1-2H3,(H,23,26)