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

Systemtic Name: 2-methylpropyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-4-fluoroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3-chloro-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-4-fluoro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H17ClFN3O2S MolecularWeight: 393.862883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O2S/c1-9(2)7-25-18(24)15-10(3)14-16(21-8-22-17(14)26-15)23-11-4-5-13(20)12(19)6-11/h4-6,8-9H,7H2,1-3H3,(H,21,22,23)