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

Systemtic Name: 5-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 5-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 5-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 5-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate Formula: C22H18N3O3S- MolecularWeight: 404.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC(=C(C=C4)O)C(=O)[O-])C)C

InChI

InChI=1S/C22H19N3O3S/c1-11-4-5-14(8-12(11)2)18-13(3)29-21-19(18)20(23-10-24-21)25-15-6-7-17(26)16(9-15)22(27)28/h4-10,26H,1-3H3,(H,27,28)(H,23,24,25)/p-1