ethanedioic acid; 2-methyl-4-(4-methyl-1,4-diazepan-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: ethanedioic acid; 2-methyl-4-(4-methyl-1,4-diazepan-1-yl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-4-(4-methyl-1,4-diazepan-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 2-methyl-4-(4-methyl-1,4-diazepan-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 2-methyl-4-(4-methyl-1,4-diazepan-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 2-methyl-4-(4-methyl-1,4-diazepan-1-yl)-5-(2-thienyl)thieno[2,3-d]pyrimidine; oxalic acid Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCCN(CC4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCCN(CC4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N4S2.C2H2O4/c1-12-18-16(21-7-4-6-20(2)8-9-21)15-13(11-23-17(15)19-12)14-5-3-10-22-14;3-1(4)2(5)6/h3,5,10-11H,4,6-9H2,1-2H3;(H,3,4)(H,5,6)