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

Systemtic Name: 5-butyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylsulfanyl]-1,2-diazirin-1-yl]pyrimidin-2-amine Openeye Name: 5-butyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylsulfanyl]diazirin-1-yl]pyrimidin-2-amine CAS Name: 5-butyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylthio]-1-diazirinyl]-2-pyrimidinamine IUPAC Name: 5-butyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylsulfanyl]diazirin-1-yl]pyrimidin-2-amine Traditional Name: [5-butyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylthio]diazirin-1-yl]pyrimidin-2-yl]amine Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5OS/c1-4-5-9-16-14(3)21-18(20)22-17(16)24-19(23-24)26-11-10-25-15-8-6-7-13(2)12-15/h6-8,12H,4-5,9-11H2,1-3H3,(H2,20,21,22)