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

Systemtic Name: 5-ethyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylsulfanyl]-1,2-diazirin-1-yl]pyrimidin-2-amine Openeye Name: 5-ethyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylsulfanyl]diazirin-1-yl]pyrimidin-2-amine CAS Name: 5-ethyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylthio]-1-diazirinyl]-2-pyrimidinamine IUPAC Name: 5-ethyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylsulfanyl]diazirin-1-yl]pyrimidin-2-amine Traditional Name: [5-ethyl-4-methyl-6-[3-[2-(3-methylphenoxy)ethylthio]diazirin-1-yl]pyrimidin-2-yl]amine Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5OS/c1-4-14-12(3)19-16(18)20-15(14)22-17(21-22)24-9-8-23-13-7-5-6-11(2)10-13/h5-7,10H,4,8-9H2,1-3H3,(H2,18,19,20)