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

Systemtic Name: N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-4-oxo-2-sec-butylsulfanyl-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-(butan-2-ylthio)-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-4-keto-2-(sec-butylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N5O4S/c1-4-8(2)26-16-19-13(17)12(15(23)20-16)18-14(22)10-6-5-7-11(9(10)3)21(24)25/h5-8H,4H2,1-3H3,(H,18,22)(H3,17,19,20,23)