[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=C(C(=C(N2)C)C)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=C(C(=C(N2)C)C)C#N)C

InChI

InChI=1S/C17H19N5O3S/c1-9-5-10(2)20-17(19-9)26-8-15(24)25-7-14(23)22-16-13(6-18)11(3)12(4)21-16/h5,21H,7-8H2,1-4H3,(H,22,23)