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

Systemtic Name: 4-[(3-chlorophenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(3-chloroanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(3-chloroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloroanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H9ClN3O2S- MolecularWeight: 318.75816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C14H10ClN3O2S/c1-7-10-12(18-9-4-2-3-8(15)5-9)16-6-17-13(10)21-11(7)14(19)20/h2-6H,1H3,(H,19,20)(H,16,17,18)/p-1