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

Systemtic Name: 2-[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C23H18N3O4S- MolecularWeight: 432.47172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C23H19N3O4S/c1-2-5-13-11-19(27)26-23(25-13)31-12-20(28)24-14-8-9-17-18(10-14)22(30)16-7-4-3-6-15(16)21(17)29/h3-4,6-11H,2,5,12H2,1H3,(H,24,28)(H,25,26,27)/p-1