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

Systemtic Name: 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)-1,2-diazirin-1-yl]pyrimidin-2-amine Openeye Name: 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine CAS Name: 5-ethyl-4-methyl-6-[3-(2-phenoxyethylthio)-1-diazirinyl]-2-pyrimidinamine IUPAC Name: 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine Traditional Name: [5-ethyl-4-methyl-6-[3-(2-phenoxyethylthio)diazirin-1-yl]pyrimidin-2-yl]amine Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5OS/c1-3-13-11(2)18-15(17)19-14(13)21-16(20-21)23-10-9-22-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,17,18,19)