N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H17N5O5S/c1-29-14-7-5-12(6-8-14)17(25)21-15-16(20)22-19(23-18(15)26)30-10-11-3-2-4-13(9-11)24(27)28/h2-9H,10H2,1H3,(H,21,25)(H3,20,22,23,26)