2-[[4-(4-ethoxyphenyl)carbonylpiperazin-1-yl]methyl]-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidine-6-sulfonamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)carbonylpiperazin-1-yl]methyl]-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidine-6-sulfonamide Openeye Name: 2-[[4-(4-ethoxybenzoyl)piperazin-1-yl]methyl]-4-oxo-3-phenyl-thieno[2,3-d]pyrimidine-6-sulfonamide CAS Name: 2-[[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-4-oxo-3-phenyl-6-thieno[2,3-d]pyrimidinesulfonamide IUPAC Name: 2-[[4-(4-ethoxybenzoyl)piperazin-1-yl]methyl]-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-sulfonamide Traditional Name: 2-[[4-(4-ethoxybenzoyl)piperazino]methyl]-4-keto-3-phenyl-thieno[2,3-d]pyrimidine-6-sulfonamide Formula: C26H27N5O5S2 MolecularWeight: 553.65308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(C=C(S4)S(=O)(=O)N)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(C=C(S4)S(=O)(=O)N)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O5S2/c1-2-36-20-10-8-18(9-11-20)25(32)30-14-12-29(13-15-30)17-22-28-24-21(16-23(37-24)38(27,34)35)26(33)31(22)19-6-4-3-5-7-19/h3-11,16H,2,12-15,17H2,1H3,(H2,27,34,35)