[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C20H24N4O3S/c1-14-11-15(2)22-20(21-14)28-13-19(26)27-12-18(25)23-16-5-7-17(8-6-16)24-9-3-4-10-24/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,23,25)