3-(pyridin-3-ylmethylamino)-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(pyridin-3-ylmethylamino)-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(3-pyridylmethylamino)-4-[3-[2-pyridyl(2-thienylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(3-pyridinylmethylamino)-4-[3-[2-pyridinyl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(pyridin-3-ylmethylamino)-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(3-pyridylmethylamino)-4-[3-[2-pyridyl(2-thenyl)amino]propylamino]cyclobut-3-ene-1,2-quinone Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCNC2=C(C(=O)C2=O)NCC3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1=CC=NC(=C1)N(CCCNC2=C(C(=O)C2=O)NCC3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H23N5O2S/c29-22-20(21(23(22)30)27-15-17-6-3-9-24-14-17)26-11-5-12-28(16-18-7-4-13-31-18)19-8-1-2-10-25-19/h1-4,6-10,13-14,26-27H,5,11-12,15-16H2