5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-ethoxy-3-oxidanylidene-1-phenyl-propyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate

Systemtic Name: 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-ethoxy-3-oxidanylidene-1-phenyl-propyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-ethoxy-3-oxo-1-phenyl-propyl]-4-oxo-2-thioxo-1H-pyrimidin-6-olate CAS Name: 5-[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-ethoxy-3-oxo-1-phenylpropyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-ethoxy-3-oxo-1-phenylpropyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-ethoxy-3-keto-1-phenyl-propyl]-4-keto-2-thioxo-1H-pyrimidin-6-olate Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)C2=C(NC(=S)NC2=O)[O-])[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)C2=C(NC(=S)NC2=O)[O-])[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H24N4O4S/c1-4-30-21(29)18(26-12-10-15(11-13-26)25(2)3)16(14-8-6-5-7-9-14)17-19(27)23-22(31)24-20(17)28/h5-13,16,18H,4H2,1-3H3,(H2-,23,24,27,28,31)