N-[6-acetamido-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-acetamido-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCCC2OCCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCCC2OCCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O5S/c1-11(23)19-15-14(20-16(24)12-5-3-2-4-6-12)17(25)22-18(21-15)28-10-7-13-26-8-9-27-13/h2-6,13H,7-10H2,1H3,(H,20,24)(H2,19,21,22,23,25)