4-[(3-chlorophenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(3-chlorophenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[(3-chlorophenyl)methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[(3-chlorophenyl)methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[(3-chlorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[(3-chlorobenzyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C15H12ClN3O2S/c1-8-11-13(17-6-9-3-2-4-10(16)5-9)18-7-19-14(11)22-12(8)15(20)21/h2-5,7H,6H2,1H3,(H,20,21)(H,17,18,19)