4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15N3O3S2/c25-17(24-15-8-6-14(7-9-15)21(26)27)11-29-20-18-16(13-4-2-1-3-5-13)10-28-19(18)22-12-23-20/h1-10,12H,11H2,(H,24,25)(H,26,27)