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

Systemtic Name: N-[6-azanyl-2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[6-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-2-[(2,4-dichlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[6-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-[(2,4-dichlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H15Cl2N5O4S MolecularWeight: 480.3245

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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)SCC3=C(C=C(C=C3)Cl)Cl)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=C(C=C3)Cl)Cl)N

InChI

InChI=1S/C19H15Cl2N5O4S/c1-9-12(3-2-4-14(9)26(29)30)17(27)23-15-16(22)24-19(25-18(15)28)31-8-10-5-6-11(20)7-13(10)21/h2-7H,8H2,1H3,(H,23,27)(H3,22,24,25,28)