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

Systemtic Name: 4-(azepan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine; ethanedioic acid Openeye Name: 4-(azepan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 4-(1-azepanyl)-5-phenylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 4-(azepan-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine; oxalic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3S.C2H2O4/c1-2-7-11-21(10-6-1)17-16-15(14-8-4-3-5-9-14)12-22-18(16)20-13-19-17;3-1(4)2(5)6/h3-5,8-9,12-13H,1-2,6-7,10-11H2;(H,3,4)(H,5,6)