2,5-dimethyl-4-[(phenylmethyl)-propan-2-yl-amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[(phenylmethyl)-propan-2-yl-amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[benzyl(isopropyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-[(phenylmethyl)-propan-2-ylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[benzyl(propan-2-yl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[benzyl(isopropyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(CC3=CC=CC=C3)C(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(CC3=CC=CC=C3)C(C)C)C)C(=O)O

InChI

InChI=1S/C19H21N3O2S/c1-11(2)22(10-14-8-6-5-7-9-14)17-15-12(3)16(19(23)24)25-18(15)21-13(4)20-17/h5-9,11H,10H2,1-4H3,(H,23,24)