[2-(pyrimidin-2-ylamino)ethylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [2-(pyrimidin-2-ylamino)ethylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [2-(pyrimidin-2-ylamino)ethylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [2-(2-pyrimidinylamino)ethylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [2-(pyrimidin-2-ylamino)ethylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [2-(2-pyrimidylamino)ethylamino]-(2-thioxo-3-pyridylidene)methanolate Formula: C12H12N5OS- MolecularWeight: 274.32158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(NCCNC2=NC=CC=N2)[O-])C(=S)N=C1

Isomeric SMILES

C1=CC(=C(NCCNC2=NC=CC=N2)[O-])C(=S)N=C1

InChI

InChI=1S/C12H13N5OS/c18-10(9-3-1-4-14-11(9)19)13-7-8-17-12-15-5-2-6-16-12/h1-6,13,18H,7-8H2,(H,15,16,17)/p-1