1-ethyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrimidine-5-carbonitrile

Systemtic Name: 1-ethyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrimidine-5-carbonitrile Openeye Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]pyrimidine-5-carbonitrile CAS Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-5-pyrimidinecarbonitrile IUPAC Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrimidine-5-carbonitrile Traditional Name: 1-ethyl-2,4-diketo-3-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]pyrimidine-5-carbonitrile Formula: C17H19N5O5S2 MolecularWeight: 437.49326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C#N

InChI

InChI=1S/C17H19N5O5S2/c1-2-19-11-13(10-18)16(24)22(17(19)25)12-14(23)20-5-7-21(8-6-20)29(26,27)15-4-3-9-28-15/h3-4,9,11H,2,5-8,12H2,1H3