2-[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H21N5O4S/c1-20-15(11-17(24)21(2)18(20)25)13-22-7-9-23(10-8-22)28(26,27)16-6-4-3-5-14(16)12-19/h3-6,11H,7-10,13H2,1-2H3