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

Systemtic Name: methyl 2-[2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C16H23N3O4S/c1-3-12-6-4-5-7-19(12)14(21)10-24-16-17-11(8-13(20)18-16)9-15(22)23-2/h8,12H,3-7,9-10H2,1-2H3,(H,17,18,20)/t12-/m0/s1