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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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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=CC=CC=C3)N

Isomeric SMILES

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

InChI

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