[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]-(2-thioxo-3-pyridylidene)methanolate Formula: C17H22N6OS MolecularWeight: 358.46118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=C2C=CC=NC2=S)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=C2C=CC=NC2=S)[O-])C3=NC=CC=N3

InChI

InChI=1S/C17H22N6OS/c24-15(14-4-1-5-19-16(14)25)18-8-3-9-22-10-12-23(13-11-22)17-20-6-2-7-21-17/h1-2,4-7,18,24H,3,8-13H2