2-[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate Openeye Name: 2-[2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate CAS Name: 2-[[2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl]thio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl]sulfanyl-6-ethylpyrimidin-4-olate Traditional Name: 2-[[2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl]thio]-6-ethyl-pyrimidin-4-olate Formula: C22H16N3O4S- MolecularWeight: 418.44514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-2-12-10-18(26)25-22(24-12)30-11-19(27)23-13-7-8-16-17(9-13)21(29)15-6-4-3-5-14(15)20(16)28/h3-10H,2,11H2,1H3,(H,23,27)(H,24,25,26)/p-1