2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazine

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazine Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazine CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazine IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazine Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazine Formula: C16H17BrN4OS MolecularWeight: 393.30138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2C3=NCCCN3

InChI

InChI=1S/C16H17BrN4OS/c1-22-13-4-3-12(17)9-11(13)10-23-16-14(18-7-8-21-16)15-19-5-2-6-20-15/h3-4,7-9H,2,5-6,10H2,1H3,(H,19,20)