4-[[4-oxidanylidene-2-(1-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-2-(1-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-2-(1-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-2-[1-(1-piperazinyl)propyl]-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-2-(1-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-2-(1-piperazinopropyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=C(C=C3)C(=O)O)N4CCNCC4

Isomeric SMILES

CCC(C1=NC2=C(C=CS2)C(=O)N1CC3=CC=C(C=C3)C(=O)O)N4CCNCC4

InChI

InChI=1S/C21H24N4O3S/c1-2-17(24-10-8-22-9-11-24)18-23-19-16(7-12-29-19)20(26)25(18)13-14-3-5-15(6-4-14)21(27)28/h3-7,12,17,22H,2,8-11,13H2,1H3,(H,27,28)