methyl 2-[2-[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C20H23N3O5S/c1-13(24)21-9-3-4-14-5-7-15(8-6-14)17(25)12-29-20-22-16(10-18(26)23-20)11-19(27)28-2/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,21,24)(H,22,23,26)