4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(5-propyl-2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(5-propylpyrimidin-2-yl)piperazino]sulfonylbenzonitrile Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H21N5O2S/c1-2-3-16-13-20-18(21-14-16)22-8-10-23(11-9-22)26(24,25)17-6-4-15(12-19)5-7-17/h4-7,13-14H,2-3,8-11H2,1H3