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

Systemtic Name: methyl 2-[2-[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S/c1-4-5-6-7-11(2)17-14(21)10-24-16-18-12(8-13(20)19-16)9-15(22)23-3/h8,11H,4-7,9-10H2,1-3H3,(H,17,21)(H,18,19,20)/t11-/m0/s1