2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonylbenzonitrile Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H23N5O2S/c1-14(2)19-21-15(3)12-18(22-19)23-8-10-24(11-9-23)27(25,26)17-7-5-4-6-16(17)13-20/h4-7,12,14H,8-11H2,1-3H3