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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(2-allylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(allylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C15H15N5O4S MolecularWeight: 361.3757

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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=C)N

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O4S/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/h3-6H,1,7H2,2H3,(H,17,21)(H3,16,18,19,22)