N-(3-chloranyl-4-methoxy-phenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(3-chloro-4-methoxyphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(3-chloro-4-methoxy-phenyl)acetamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-27-17-8-7-14(9-16(17)21)22-18(25)10-15-11-19(26)24-20(23-15)28-12-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H,22,25)(H,23,24,26)