N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(1-acetyl-2-oxo-propyl)sulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-(2,4-dioxopentan-3-ylthio)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-(2,4-dioxopentan-3-ylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[(1-acetyl-2-keto-propyl)thio]-6-amino-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C17H17N5O6S MolecularWeight: 419.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SC(C(=O)C)C(=O)C)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SC(C(=O)C)C(=O)C)N

InChI

InChI=1S/C17H17N5O6S/c1-7-10(5-4-6-11(7)22(27)28)15(25)19-12-14(18)20-17(21-16(12)26)29-13(8(2)23)9(3)24/h4-6,13H,1-3H3,(H,19,25)(H3,18,20,21,26)