6-methyl-2-methylsulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]pyrimidin-4-one

Systemtic Name: 6-methyl-2-methylsulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]pyrimidin-4-one Openeye Name: 6-methyl-2-methylsulfanyl-3-[(E)-(4-nitrophenyl)methyleneamino]pyrimidin-4-one CAS Name: 6-methyl-2-(methylthio)-3-[(E)-(4-nitrophenyl)methylideneamino]-4-pyrimidinone IUPAC Name: 6-methyl-2-methylsulfanyl-3-[(E)-(4-nitrophenyl)methylideneamino]pyrimidin-4-one Traditional Name: 6-methyl-2-(methylthio)-3-[(E)-(4-nitrobenzylidene)amino]pyrimidin-4-one Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SC)N=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SC)/N=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S/c1-9-7-12(18)16(13(15-9)21-2)14-8-10-3-5-11(6-4-10)17(19)20/h3-8H,1-2H3/b14-8+