[1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(dibenzylamino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H27N3O3S/c1-18-14-19(2)27-25(26-18)32-17-23(29)31-20(3)24(30)28(15-21-10-6-4-7-11-21)16-22-12-8-5-9-13-22/h4-14,20H,15-17H2,1-3H3