N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4S/c1-11-2-6-13(7-3-11)17(25)21-15-16(20)22-19(23-18(15)26)29-10-12-4-8-14(9-5-12)24(27)28/h2-9H,10H2,1H3,(H,21,25)(H3,20,22,23,26)