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

Systemtic Name: 3-azanyl-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione; ethanol Openeye Name: 3-amino-4-[3-[2-pyridyl(2-thienylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione; ethanol CAS Name: 3-amino-4-[3-[2-pyridinyl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione; ethanol IUPAC Name: 3-amino-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione; ethanol Traditional Name: 3-amino-4-[3-[2-pyridyl(2-thenyl)amino]propylamino]cyclobut-3-ene-1,2-quinone; ethanol Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCO.C1=CC=NC(=C1)N(CCCNC2=C(C(=O)C2=O)N)CC3=CC=CS3

Isomeric SMILES

CCO.C1=CC=NC(=C1)N(CCCNC2=C(C(=O)C2=O)N)CC3=CC=CS3

InChI

InChI=1S/C17H18N4O2S.C2H6O/c18-14-15(17(23)16(14)22)20-8-4-9-21(11-12-5-3-10-24-12)13-6-1-2-7-19-13;1-2-3/h1-3,5-7,10,20H,4,8-9,11,18H2;3H,2H2,1H3