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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoxaline Formula: C20H19BrN4OS MolecularWeight: 443.36006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2C4=NCCCN4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2C4=NCCCN4

InChI

InChI=1S/C20H19BrN4OS/c1-26-17-8-7-14(21)11-13(17)12-27-20-18(19-22-9-4-10-23-19)24-15-5-2-3-6-16(15)25-20/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,23)