[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3S/c1-12-9-13(2)20-16(19-12)25-11-15(23)24-10-14(22)21(7-3-5-17)8-4-6-18/h9H,3-4,7-8,10-11H2,1-2H3