2-[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]acetic acid Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C20H15N3O2S/c24-19(25)11-13-5-7-15(8-6-13)22-20-21-10-9-16(23-20)18-12-14-3-1-2-4-17(14)26-18/h1-10,12H,11H2,(H,24,25)(H,21,22,23)