2,5-dimethyl-4-[(2-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-[(2-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-isopropylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(2-propan-2-ylanilino)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-(2-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-isopropylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=CC=C3C(C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=CC=C3C(C)C)C)C(=O)[O-]

InChI

InChI=1S/C18H19N3O2S/c1-9(2)12-7-5-6-8-13(12)21-16-14-10(3)15(18(22)23)24-17(14)20-11(4)19-16/h5-9H,1-4H3,(H,22,23)(H,19,20,21)/p-1