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

Systemtic Name: 3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4S/c1-14-18-20(26-17-9-5-8-16(12-17)22(27)28)24-13-25-21(18)31-19(14)23(29)30-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,27,28)(H,24,25,26)