2-[4-azanyl-5-(4-propan-2-ylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-phenyl-propanamide

Systemtic Name: 2-[4-azanyl-5-(4-propan-2-ylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: 2-[4-amino-5-(4-isopropylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: 2-[[4-amino-5-(4-propan-2-ylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-phenylpropanamide IUPAC Name: 2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: 2-[(4-amino-5-p-cumenylsulfonyl-pyrimidin-2-yl)thio]-N-phenyl-propionamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-14(2)16-9-11-18(12-10-16)31(28,29)19-13-24-22(26-20(19)23)30-15(3)21(27)25-17-7-5-4-6-8-17/h4-15H,1-3H3,(H,25,27)(H2,23,24,26)