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

Systemtic Name: 6-methyl-3-[(2-nitrophenyl)methyl]-2-[(2-nitrophenyl)methylsulfanyl]pyrimidin-4-one Openeye Name: 6-methyl-3-[(2-nitrophenyl)methyl]-2-[(2-nitrophenyl)methylsulfanyl]pyrimidin-4-one CAS Name: 6-methyl-3-[(2-nitrophenyl)methyl]-2-[(2-nitrophenyl)methylthio]-4-pyrimidinone IUPAC Name: 6-methyl-3-[(2-nitrophenyl)methyl]-2-[(2-nitrophenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 6-methyl-3-(2-nitrobenzyl)-2-[(2-nitrobenzyl)thio]pyrimidin-4-one Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5S/c1-13-10-18(24)21(11-14-6-2-4-8-16(14)22(25)26)19(20-13)29-12-15-7-3-5-9-17(15)23(27)28/h2-10H,11-12H2,1H3