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

Systemtic Name: 5-butyl-4-methyl-6-[3-(phenylmethylsulfanyl)-1,2-diazirin-1-yl]pyrimidin-2-amine Openeye Name: 4-(3-benzylsulfanyldiazirin-1-yl)-5-butyl-6-methyl-pyrimidin-2-amine CAS Name: 5-butyl-4-methyl-6-[3-(phenylmethylthio)-1-diazirinyl]-2-pyrimidinamine IUPAC Name: 4-(3-benzylsulfanyldiazirin-1-yl)-5-butyl-6-methylpyrimidin-2-amine Traditional Name: [4-[3-(benzylthio)diazirin-1-yl]-5-butyl-6-methyl-pyrimidin-2-yl]amine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SCC3=CC=CC=C3)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SCC3=CC=CC=C3)N)C

InChI

InChI=1S/C17H21N5S/c1-3-4-10-14-12(2)19-16(18)20-15(14)22-17(21-22)23-11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H2,18,19,20)