4-[3-[2-(4-bromanylphenoxy)ethylsulfanyl]-1,2-diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-amine

Systemtic Name: 4-[3-[2-(4-bromanylphenoxy)ethylsulfanyl]-1,2-diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-amine Openeye Name: 4-[3-[2-(4-bromophenoxy)ethylsulfanyl]diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-amine CAS Name: 4-[3-[2-(4-bromophenoxy)ethylthio]-1-diazirinyl]-5-ethyl-6-methyl-2-pyrimidinamine IUPAC Name: 4-[3-[2-(4-bromophenoxy)ethylsulfanyl]diazirin-1-yl]-5-ethyl-6-methylpyrimidin-2-amine Traditional Name: [4-[3-[2-(4-bromophenoxy)ethylthio]diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-yl]amine Formula: C16H18BrN5OS MolecularWeight: 408.31602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SCCOC3=CC=C(C=C3)Br)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SCCOC3=CC=C(C=C3)Br)N)C

InChI

InChI=1S/C16H18BrN5OS/c1-3-13-10(2)19-15(18)20-14(13)22-16(21-22)24-9-8-23-12-6-4-11(17)5-7-12/h4-7H,3,8-9H2,1-2H3,(H2,18,19,20)