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

Systemtic Name: 4-(azepan-1-yl)-2-methyl-thieno[2,3-d]pyrimidine; ethanedioic acid Openeye Name: 4-(azepan-1-yl)-2-methyl-thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 4-(1-azepanyl)-2-methylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 4-(azepan-1-yl)-2-methyl-thieno[2,3-d]pyrimidine; oxalic acid Formula: C15H19N3O4S MolecularWeight: 337.39406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CSC2=N1)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=C2C=CSC2=N1)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17N3S.C2H2O4/c1-10-14-12(11-6-9-17-13(11)15-10)16-7-4-2-3-5-8-16;3-1(4)2(5)6/h6,9H,2-5,7-8H2,1H3;(H,3,4)(H,5,6)