2-[4-azanyl-5-(4-methylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-methylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[4-amino-5-(p-tolylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-tosyl-pyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H22N4O3S2/c1-13-4-6-17(7-5-13)30(27,28)18-11-23-21(25-20(18)22)29-12-19(26)24-16-9-14(2)8-15(3)10-16/h4-11H,12H2,1-3H3,(H,24,26)(H2,22,23,25)