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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-(2-acetonylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(acetonylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C15H15N5O5S MolecularWeight: 377.3751

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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)SCC(=O)C)N

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O5S/c1-7(21)6-26-15-18-12(16)11(14(23)19-15)17-13(22)9-4-3-5-10(8(9)2)20(24)25/h3-5H,6H2,1-2H3,(H,17,22)(H3,16,18,19,23)