5,6-dimethyl-N-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine; ethanedioic acid

Systemtic Name: 5,6-dimethyl-N-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine; ethanedioic acid Openeye Name: 5,6-dimethyl-N-(4-methylpiperazin-1-yl)-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine; oxalic acid CAS Name: 5,6-dimethyl-N-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine; oxalic acid IUPAC Name: 5,6-dimethyl-N-(4-methylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine; oxalic acid Traditional Name: [5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]-(4-methylpiperazino)amine; oxalic acid Formula: C20H24N6O4S MolecularWeight: 444.50736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NN3CCN(CC3)C)C4=CN=CC=C4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NN3CCN(CC3)C)C4=CN=CC=C4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N6S.C2H2O4/c1-12-13(2)25-18-15(12)17(22-24-9-7-23(3)8-10-24)20-16(21-18)14-5-4-6-19-11-14;3-1(4)2(5)6/h4-6,11H,7-10H2,1-3H3,(H,20,21,22);(H,3,4)(H,5,6)