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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)-N-(9,10-dioxo-2-anthryl)acetamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]-N-(9,10-diketo-2-anthryl)acetamide Formula: C33H23N3O4S MolecularWeight: 557.61842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2CC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C33H23N3O4S/c37-29(34-23-15-16-26-27(17-23)32(40)25-14-8-7-13-24(25)31(26)39)19-36-30(38)18-28(22-11-5-2-6-12-22)35-33(36)41-20-21-9-3-1-4-10-21/h1-18H,19-20H2,(H,34,37)