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

Systemtic Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C15H12N3O2S- MolecularWeight: 298.33968

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-8-9(2)21-14-12(8)13(16-7-17-14)18-11-5-3-10(4-6-11)15(19)20/h3-7H,1-2H3,(H,19,20)(H,16,17,18)/p-1