6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(4-bromophenyl)methylthio]-5-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(4-bromobenzyl)thio]-5-phenyl-1H-pyrimidin-4-one Formula: C17H14BrN3OS MolecularWeight: 388.28156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C17H14BrN3OS/c18-13-8-6-11(7-9-13)10-23-17-20-15(19)14(16(22)21-17)12-4-2-1-3-5-12/h1-9H,10H2,(H3,19,20,21,22)