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

Systemtic Name: 3-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C21H23N5O6S MolecularWeight: 473.50222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6S/c1-3-23-13-17(12-22)20(29)26(21(23)30)14-19(28)24-8-10-25(11-9-24)33(31,32)18-6-4-16(5-7-18)15(2)27/h4-7,13H,3,8-11,14H2,1-2H3