2-[4-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid CAS Name: 2-[4-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC(=O)O)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC(=O)O)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-15-20-22(27-18-9-7-17(8-10-18)13-19(28)29)25-14-26-23(20)32-21(15)24(30)31-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,28,29)(H,25,26,27)