4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine; ethanedioic acid

Systemtic Name: 4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine; ethanedioic acid Openeye Name: 4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 4-(1-azepanyl)-5,6-dimethylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 4-(azepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 4-(azepan-1-yl)-5,6-dimethyl-thieno[2,3-d]pyrimidine; oxalic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3S.C2H2O4/c1-10-11(2)18-14-12(10)13(15-9-16-14)17-7-5-3-4-6-8-17;3-1(4)2(5)6/h9H,3-8H2,1-2H3;(H,3,4)(H,5,6)