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

Systemtic Name: 2-[4-azanyl-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S2/c1-13-8-9-16(10-14(13)2)29(26,27)17-11-22-20(24-19(17)21)28-12-18(25)23-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24)