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

Systemtic Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-6-yl]acetamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S/c1-2-6-17-14(21)8-12-9-15(22)19-16(18-12)25-10-11-4-3-5-13(7-11)20(23)24/h2-5,7,9H,1,6,8,10H2,(H,17,21)(H,18,19,22)