2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-6-methyl-5-(4-nitrobenzyl)-1H-pyrimidin-4-one Formula: C19H16FN3O3S MolecularWeight: 385.412043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O3S/c1-12-17(10-13-5-7-16(8-6-13)23(25)26)18(24)22-19(21-12)27-11-14-3-2-4-15(20)9-14/h2-9H,10-11H2,1H3,(H,21,22,24)