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

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(m-tolyl)acetamide CAS Name: 2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]-N-(m-tolyl)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14-5-3-7-16(9-14)22-19(25)11-17-12-20(26)24-21(23-17)28-13-15-6-4-8-18(10-15)27-2/h3-10,12H,11,13H2,1-2H3,(H,22,25)(H,23,24,26)