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

Systemtic Name: 4-methyl-6-[3-(phenylmethylsulfanyl)-1,2-diazirin-1-yl]pyrimidin-2-amine Openeye Name: 4-(3-benzylsulfanyldiazirin-1-yl)-6-methyl-pyrimidin-2-amine CAS Name: 4-methyl-6-[3-(phenylmethylthio)-1-diazirinyl]-2-pyrimidinamine IUPAC Name: 4-(3-benzylsulfanyldiazirin-1-yl)-6-methylpyrimidin-2-amine Traditional Name: [4-[3-(benzylthio)diazirin-1-yl]-6-methyl-pyrimidin-2-yl]amine Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)N2C(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2C(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H13N5S/c1-9-7-11(16-12(14)15-9)18-13(17-18)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16)