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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(3-methylsulfanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-(methylthio)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[3-(methylthio)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-11(2)9-24-19(23)16-12(3)15-17(20-10-21-18(15)26-16)22-13-6-5-7-14(8-13)25-4/h5-8,10-11H,9H2,1-4H3,(H,20,21,22)