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

Systemtic Name: 3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[5-methyl-6-[oxo(phenethyloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[(5-methyl-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C23H18N3O4S- MolecularWeight: 432.47172

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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)/p-1