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

Systemtic Name: 2-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]ethylamino]methyl]benzoic acid IUPAC Name: 2-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylcarbamoyl]benzoic acid Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCNC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCNC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H18N4O3S/c27-20(15-8-4-5-9-16(15)22(28)29)24-11-10-23-19-18-17(14-6-2-1-3-7-14)12-30-21(18)26-13-25-19/h1-9,12-13H,10-11H2,(H,24,27)(H,28,29)(H,23,25,26)