methyl 3-[(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate CAS Name: 3-[[(2-tert-butyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 3-[(2-tert-butyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-11-15-12(2)22-20(21(3,4)5)24-18(15)28-16(11)17(25)23-14-9-7-8-13(10-14)19(26)27-6/h7-10H,1-6H3,(H,23,25)