[1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(benzhydrylamino)-1-methyl-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [1-[(diphenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(benzhydrylamino)-1-oxopropan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-(benzhydrylamino)-2-keto-1-methyl-ethyl] ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S/c1-17-22(18(2)28-26(27-17)33-4)15-16-23(30)32-19(3)25(31)29-24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,24H,15-16H2,1-4H3,(H,29,31)