2-[3-[6-(1-benzothiophen-2-ylmethylamino)-2-methoxy-pyrimidin-4-yl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[6-(1-benzothiophen-2-ylmethylamino)-2-methoxy-pyrimidin-4-yl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[3-[6-(benzothiophen-2-ylmethylamino)-2-methoxy-pyrimidin-4-yl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[3-[6-(1-benzothiophen-2-ylmethylamino)-2-methoxy-4-pyrimidinyl]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[3-[6-(1-benzothiophen-2-ylmethylamino)-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[3-[6-(benzothiophen-2-ylmethylamino)-2-methoxy-pyrimidin-4-yl]phenyl]-2-methyl-propionic acid Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1)C2=CC(=NC(=N2)OC)NCC3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC(=C1)C2=CC(=NC(=N2)OC)NCC3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C24H23N3O3S/c1-24(2,22(28)29)17-9-6-8-15(11-17)19-13-21(27-23(26-19)30-3)25-14-18-12-16-7-4-5-10-20(16)31-18/h4-13H,14H2,1-3H3,(H,28,29)(H,25,26,27)