[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(C2=CC=C(C=C2)NC3=CC=CC=C3)C(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N(C2=CC=C(C=C2)NC3=CC=CC=C3)C(C)C)C

InChI

InChI=1S/C25H28N4O3S/c1-17(2)29(22-12-10-21(11-13-22)28-20-8-6-5-7-9-20)23(30)15-32-24(31)16-33-25-26-18(3)14-19(4)27-25/h5-14,17,28H,15-16H2,1-4H3