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

Systemtic Name: 1-ethyl-2,4-bis(oxidanylidene)-3-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]pyrimidine-5-carbonitrile Openeye Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 1-ethyl-2,4-dioxo-3-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-5-pyrimidinecarbonitrile IUPAC Name: 3-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H23N5O5S/c1-2-22-13-17(12-21)19(27)25(20(22)28)14-18(26)23-8-10-24(11-9-23)31(29,30)15-16-6-4-3-5-7-16/h3-7,13H,2,8-11,14-15H2,1H3