5-[[[[(4,6-dimethylpyrimidin-2-yl)amino]-phenylazanyl-methylidene]amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[[[(4,6-dimethylpyrimidin-2-yl)amino]-phenylazanyl-methylidene]amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]amino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[[anilino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]amino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]amino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]amino]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H16N7O2S- MolecularWeight: 394.43034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC=C2C(=O)NC(=S)N=C2[O-])NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC=C2C(=O)NC(=S)N=C2[O-])NC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N7O2S/c1-10-8-11(2)21-17(20-10)25-16(22-12-6-4-3-5-7-12)19-9-13-14(26)23-18(28)24-15(13)27/h3-9H,1-2H3,(H2,19,20,21,22,25)(H2,23,24,26,27,28)/p-1