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

Systemtic Name: N-(6-azanyl-2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-2-ethylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-(ethylthio)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-2-ethylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-(ethylthio)-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H15N5O4S/c1-3-24-14-17-11(15)10(13(21)18-14)16-12(20)8-5-4-6-9(7(8)2)19(22)23/h4-6H,3H2,1-2H3,(H,16,20)(H3,15,17,18,21)