5-[[2-[(4-methylquinolin-2-yl)amino]ethylamino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[2-[(4-methylquinolin-2-yl)amino]ethylamino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[2-[(4-methyl-2-quinolyl)amino]ethylamino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[2-[(4-methyl-2-quinolinyl)amino]ethylamino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[2-[(4-methylquinolin-2-yl)amino]ethylamino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[[2-[(4-methyl-2-quinolyl)amino]ethylamino]methylene]-2-thioxo-pyrimidin-4-olate Formula: C17H16N5O2S- MolecularWeight: 354.40624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)NCCNC=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)NCCNC=C3C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C17H17N5O2S/c1-10-8-14(20-13-5-3-2-4-11(10)13)19-7-6-18-9-12-15(23)21-17(25)22-16(12)24/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)(H2,21,22,23,24,25)/p-1