N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(9,10-dioxo-1-anthryl)acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(9,10-dioxo-1-anthracenyl)acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(9,10-dioxoanthracen-1-yl)acetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H17N3O3S/c1-12-10-13(2)24-22(23-12)29-11-18(26)25-17-9-5-8-16-19(17)21(28)15-7-4-3-6-14(15)20(16)27/h3-10H,11H2,1-2H3,(H,25,26)