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

Systemtic Name: 4-[3-[2-(4-bromanylphenoxy)ethylsulfanyl]-1,2-diazirin-1-yl]-5-butyl-6-methyl-pyrimidin-2-amine Openeye Name: 4-[3-[2-(4-bromophenoxy)ethylsulfanyl]diazirin-1-yl]-5-butyl-6-methyl-pyrimidin-2-amine CAS Name: 4-[3-[2-(4-bromophenoxy)ethylthio]-1-diazirinyl]-5-butyl-6-methyl-2-pyrimidinamine IUPAC Name: 4-[3-[2-(4-bromophenoxy)ethylsulfanyl]diazirin-1-yl]-5-butyl-6-methylpyrimidin-2-amine Traditional Name: [4-[3-[2-(4-bromophenoxy)ethylthio]diazirin-1-yl]-5-butyl-6-methyl-pyrimidin-2-yl]amine Formula: C18H22BrN5OS MolecularWeight: 436.36918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SCCOC3=CC=C(C=C3)Br)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SCCOC3=CC=C(C=C3)Br)N)C

InChI

InChI=1S/C18H22BrN5OS/c1-3-4-5-15-12(2)21-17(20)22-16(15)24-18(23-24)26-11-10-25-14-8-6-13(19)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H2,20,21,22)