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

Systemtic Name: 4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 2-hydroxy-4-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 2-hydroxy-4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 2-hydroxy-4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C20H14N3O3S- MolecularWeight: 376.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NC4=CC(=C(C=C4)C(=O)[O-])O

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NC4=CC(=C(C=C4)C(=O)[O-])O

InChI

InChI=1S/C20H15N3O3S/c1-11-21-18(23-13-7-8-14(20(25)26)16(24)9-13)17-15(10-27-19(17)22-11)12-5-3-2-4-6-12/h2-10,24H,1H3,(H,25,26)(H,21,22,23)/p-1