N-(4-acetamidophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H19ClN4O3S/c1-13(27)23-16-5-7-17(8-6-16)24-19(28)10-18-11-20(29)26-21(25-18)30-12-14-3-2-4-15(22)9-14/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,28)(H,25,26,29)