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

Systemtic Name: 6-[(2-bromophenyl)methyl]-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[(2-bromophenyl)methyl]-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[(2-bromophenyl)methyl]-5-methyl-2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[(2-bromophenyl)methyl]-5-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-(2-bromobenzyl)-5-methyl-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-4-one Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3Br

InChI

InChI=1S/C19H16BrN3O3S/c1-12-17(10-14-4-2-3-5-16(14)20)21-19(22-18(12)24)27-11-13-6-8-15(9-7-13)23(25)26/h2-9H,10-11H2,1H3,(H,21,22,24)