8-methyl-5-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 8-methyl-5-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 5-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-8-methyl-quinoline CAS Name: 8-methyl-5-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-methyl-5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylquinoline Traditional Name: 5-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonyl-8-methyl-quinoline Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C)C=CC=N2

InChI

InChI=1S/C22H27N5O2S/c1-15(2)22-24-17(4)14-20(25-22)26-10-12-27(13-11-26)30(28,29)19-8-7-16(3)21-18(19)6-5-9-23-21/h5-9,14-15H,10-13H2,1-4H3