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

Systemtic Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c26-19(22-10-9-15-5-2-1-3-6-15)12-17-13-20(27)24-21(23-17)30-14-16-7-4-8-18(11-16)25(28)29/h1-8,11,13H,9-10,12,14H2,(H,22,26)(H,23,24,27)