2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O3S2/c1-15-12-20(23-16(2)22-15)29-14-21(26)25-11-5-6-17-13-18(7-8-19(17)25)30(27,28)24-9-3-4-10-24/h7-8,12-13H,3-6,9-11,14H2,1-2H3