2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(3-nitrophenyl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-(3-nitrophenyl)acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-14-10-19(26)23(20(21-14)29-13-15-6-3-2-4-7-15)12-18(25)22-16-8-5-9-17(11-16)24(27)28/h2-11H,12-13H2,1H3,(H,22,25)