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

Systemtic Name: 5-methyl-4-[(2-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-isopropylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-propan-2-ylanilino)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-(2-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-isopropylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-9(2)11-6-4-5-7-12(11)20-15-13-10(3)14(17(21)22)23-16(13)19-8-18-15/h4-9H,1-3H3,(H,21,22)(H,18,19,20)/p-1