4-[bis(2-methylpropyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[bis(2-methylpropyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(diisobutylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[bis(2-methylpropyl)amino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[bis(2-methylpropyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(diisobutylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(CC(C)C)CC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(CC(C)C)CC(C)C)C)C(=O)O

InChI

InChI=1S/C17H25N3O2S/c1-9(2)7-20(8-10(3)4)15-13-11(5)14(17(21)22)23-16(13)19-12(6)18-15/h9-10H,7-8H2,1-6H3,(H,21,22)