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

Systemtic Name: 2-methylpropyl 4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(3-chloro-4-methoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-4-methoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3-chloro-4-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-4-methoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3S/c1-10(2)8-26-19(24)16-11(3)15-17(21-9-22-18(15)27-16)23-12-5-6-14(25-4)13(20)7-12/h5-7,9-10H,8H2,1-4H3,(H,21,22,23)