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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)SCC(=O)NC3=CC=CC=C3C)C

InChI

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