3-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H28N4O3S2/c1-15(2)21-22-16(3)14-20(24-21)29-13-10-19(26)23-17-6-8-18(9-7-17)30(27,28)25-11-4-5-12-25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,23,26)