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

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C22H18N3O2S- MolecularWeight: 388.46222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-12-7-8-15(9-13(12)2)18-14(3)28-21-19(18)20(23-11-24-21)25-17-6-4-5-16(10-17)22(26)27/h4-11H,1-3H3,(H,26,27)(H,23,24,25)/p-1