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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-4-5-9(2)15-12(19)8-22-14-16-10(6-11(18)17-14)7-13(20)21-3/h6,9H,4-5,7-8H2,1-3H3,(H,15,19)(H,16,17,18)/t9-/m0/s1