N-(4-bromanyl-3-methyl-phenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]acetamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)OC)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-13-8-15(6-7-18(13)22)23-19(26)10-16-11-20(27)25-21(24-16)29-12-14-4-3-5-17(9-14)28-2/h3-9,11H,10,12H2,1-2H3,(H,23,26)(H,24,25,27)