3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-3-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]pyrimidine-2,4-dione CAS Name: 3-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-3-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione Traditional Name: 1-benzyl-3-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]pyrimidine-2,4-quinone Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O5S2/c26-18-8-9-23(15-17-5-2-1-3-6-17)21(28)25(18)16-19(27)22-10-12-24(13-11-22)32(29,30)20-7-4-14-31-20/h1-9,14H,10-13,15-16H2