methyl 2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[(2R)-1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(1R)-2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=NN1C(C)C)SC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C16H21N5O4S/c1-9(2)21-12(5-6-17-21)19-15(24)10(3)26-16-18-11(7-13(22)20-16)8-14(23)25-4/h5-7,9-10H,8H2,1-4H3,(H,19,24)(H,18,20,22)/t10-/m1/s1