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

Systemtic Name: 5-butyl-4-methyl-6-[3-[2-(4-methylphenoxy)ethylsulfanyl]-1H-1,2-diazirin-2-ium-2-yl]pyrimidin-2-amine Openeye Name: 5-butyl-4-methyl-6-[3-[2-(4-methylphenoxy)ethylsulfanyl]-1H-diazirin-2-ium-2-yl]pyrimidin-2-amine CAS Name: 5-butyl-4-methyl-6-[3-[2-(4-methylphenoxy)ethylthio]-1H-diazirin-2-ium-2-yl]-2-pyrimidinamine IUPAC Name: 5-butyl-4-methyl-6-[3-[2-(4-methylphenoxy)ethylsulfanyl]-1H-diazirin-2-ium-2-yl]pyrimidin-2-amine Traditional Name: [5-butyl-4-methyl-6-[3-[2-(4-methylphenoxy)ethylthio]-1H-diazirin-2-ium-2-yl]pyrimidin-2-yl]amine Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1[N+]2=C(N2)SCCOC3=CC=C(C=C3)C)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1[N+]2=C(N2)SCCOC3=CC=C(C=C3)C)N)C

InChI

InChI=1S/C19H25N5OS/c1-4-5-6-16-14(3)21-18(20)22-17(16)24-19(23-24)26-12-11-25-15-9-7-13(2)8-10-15/h7-10H,4-6,11-12H2,1-3H3,(H2,20,21,22)/p+1