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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-propylsulfanyl-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-4-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-4-oxo-2-(propylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-4-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-(propylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H17N5O4S/c1-3-7-25-15-18-12(16)11(14(22)19-15)17-13(21)9-5-4-6-10(8(9)2)20(23)24/h4-6H,3,7H2,1-2H3,(H,17,21)(H3,16,18,19,22)