ethanedioic acid; 2-(morpholin-4-ylmethyl)-5-phenyl-N-propyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: ethanedioic acid; 2-(morpholin-4-ylmethyl)-5-phenyl-N-propyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-(morpholinomethyl)-5-phenyl-N-propyl-thieno[2,3-d]pyrimidin-4-amine; oxalic acid CAS Name: 2-(4-morpholinylmethyl)-5-phenyl-N-propyl-4-thieno[2,3-d]pyrimidinamine; oxalic acid IUPAC Name: 2-(morpholin-4-ylmethyl)-5-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine; oxalic acid Traditional Name: [2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]-propyl-amine; oxalic acid Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C(=CSC2=NC(=N1)CN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNC1=C2C(=CSC2=NC(=N1)CN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N4OS.C2H2O4/c1-2-8-21-19-18-16(15-6-4-3-5-7-15)14-26-20(18)23-17(22-19)13-24-9-11-25-12-10-24;3-1(4)2(5)6/h3-7,14H,2,8-13H2,1H3,(H,21,22,23);(H,3,4)(H,5,6)