4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]acetyl]amino]benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H20N4O4S/c1-29-17-4-2-3-13(9-17)12-30-21-24-16(11-19(27)25-21)10-18(26)23-15-7-5-14(6-8-15)20(22)28/h2-9,11H,10,12H2,1H3,(H2,22,28)(H,23,26)(H,24,25,27)