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

Systemtic Name: N-cyclopropyl-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-cyclopropyl-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: N-cyclopropyl-2-[2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-cyclopropyl-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-cyclopropyl-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:

C1CC1NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c21-14(17-11-4-5-11)7-12-8-15(22)19-16(18-12)25-9-10-2-1-3-13(6-10)20(23)24/h1-3,6,8,11H,4-5,7,9H2,(H,17,21)(H,18,19,22)