methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4S/c1-12(13-6-4-3-5-7-13)10-19-16(23)11-26-18-20-14(8-15(22)21-18)9-17(24)25-2/h3-8,12H,9-11H2,1-2H3,(H,19,23)(H,20,21,22)/t12-/m1/s1