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

Systemtic Name: 5-methyl-4-[(phenylmethyl)-propan-2-yl-amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[benzyl(isopropyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-[(phenylmethyl)-propan-2-ylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[benzyl(propan-2-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[benzyl(isopropyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-11(2)21(9-13-7-5-4-6-8-13)16-14-12(3)15(18(22)23)24-17(14)20-10-19-16/h4-8,10-11H,9H2,1-3H3,(H,22,23)