4-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: 4-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 4-[(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-methoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 4-[(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-carbomethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C17H14N3O4S- MolecularWeight: 356.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)C(=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)C(=O)[O-])C)C(=O)OC

InChI

InChI=1S/C17H15N3O4S/c1-8-12-14(20-11-6-4-10(5-7-11)16(21)22)18-9(2)19-15(12)25-13(8)17(23)24-3/h4-7H,1-3H3,(H,21,22)(H,18,19,20)/p-1