[4-(2-azaniumylethylamino)-6-methyl-pyrimidin-2-yl]-(4-methylphenyl)sulfonyl-azanide

Systemtic Name: [4-(2-azaniumylethylamino)-6-methyl-pyrimidin-2-yl]-(4-methylphenyl)sulfonyl-azanide Openeye Name: [4-(2-azaniumylethylamino)-6-methyl-pyrimidin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: [4-(2-ammonioethylamino)-6-methyl-2-pyrimidinyl]-(4-methylphenyl)sulfonylazanide IUPAC Name: [4-(2-azaniumylethylamino)-6-methylpyrimidin-2-yl]-(4-methylphenyl)sulfonylazanide Traditional Name: [4-(2-ammonioethylamino)-6-methyl-pyrimidin-2-yl]-tosyl-azanide Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC(=CC(=N2)NCC[NH3+])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC(=CC(=N2)NCC[NH3+])C

InChI

InChI=1S/C14H18N5O2S/c1-10-3-5-12(6-4-10)22(20,21)19-14-17-11(2)9-13(18-14)16-8-7-15/h3-6,9H,7-8,15H2,1-2H3,(H-,16,17,18,19)/q-1/p+1