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

Systemtic Name: 5-ethyl-4-methyl-6-[3-(phenylmethylsulfanyl)-1,2-diazirin-1-yl]pyrimidin-2-amine Openeye Name: 4-(3-benzylsulfanyldiazirin-1-yl)-5-ethyl-6-methyl-pyrimidin-2-amine CAS Name: 5-ethyl-4-methyl-6-[3-(phenylmethylthio)-1-diazirinyl]-2-pyrimidinamine IUPAC Name: 4-(3-benzylsulfanyldiazirin-1-yl)-5-ethyl-6-methylpyrimidin-2-amine Traditional Name: [4-[3-(benzylthio)diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-yl]amine Formula: C15H17N5S MolecularWeight: 299.39398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SCC3=CC=CC=C3)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SCC3=CC=CC=C3)N)C

InChI

InChI=1S/C15H17N5S/c1-3-12-10(2)17-14(16)18-13(12)20-15(19-20)21-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,16,17,18)