4-[3-[2-(4-bromanylphenoxy)ethylsulfanyl]-1,2-diazirin-1-yl]-6-methyl-pyrimidin-2-amine

Systemtic Name: 4-[3-[2-(4-bromanylphenoxy)ethylsulfanyl]-1,2-diazirin-1-yl]-6-methyl-pyrimidin-2-amine Openeye Name: 4-[3-[2-(4-bromophenoxy)ethylsulfanyl]diazirin-1-yl]-6-methyl-pyrimidin-2-amine CAS Name: 4-[3-[2-(4-bromophenoxy)ethylthio]-1-diazirinyl]-6-methyl-2-pyrimidinamine IUPAC Name: 4-[3-[2-(4-bromophenoxy)ethylsulfanyl]diazirin-1-yl]-6-methylpyrimidin-2-amine Traditional Name: [4-[3-[2-(4-bromophenoxy)ethylthio]diazirin-1-yl]-6-methyl-pyrimidin-2-yl]amine Formula: C14H14BrN5OS MolecularWeight: 380.26286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)N2C(=N2)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2C(=N2)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H14BrN5OS/c1-9-8-12(18-13(16)17-9)20-14(19-20)22-7-6-21-11-4-2-10(15)3-5-11/h2-5,8H,6-7H2,1H3,(H2,16,17,18)