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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1S)-1-phenylbutyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-3-7-15(13-8-5-4-6-9-13)21-17(24)12-27-19-20-14(10-16(23)22-19)11-18(25)26-2/h4-6,8-10,15H,3,7,11-12H2,1-2H3,(H,21,24)(H,20,22,23)/t15-/m0/s1