N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-(9,10-dioxo-2-anthryl)acetamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-(9,10-diketo-2-anthryl)acetamide Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H21N3O4S/c1-17-13-25(33)31(28(29-17)36-16-18-7-3-2-4-8-18)15-24(32)30-19-11-12-22-23(14-19)27(35)21-10-6-5-9-20(21)26(22)34/h2-14H,15-16H2,1H3,(H,30,32)