2-[4-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H29N6O2S+ MolecularWeight: 429.55896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)N)C

InChI

InChI=1S/C21H28N6O2S/c1-14-5-4-6-15(2)20(14)25-18(28)12-26-7-9-27(10-8-26)19(29)13-30-21-23-16(3)11-17(22)24-21/h4-6,11H,7-10,12-13H2,1-3H3,(H,25,28)(H2,22,23,24)/p+1