(5Z)-1-[4-(2-adamantyl)phenyl]-5-[(5-iodanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5Z)-1-[4-(2-adamantyl)phenyl]-5-[(5-iodanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-[4-(2-adamantyl)phenyl]-5-[(5-iodo-2-furyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-[4-(2-adamantyl)phenyl]-5-[(5-iodo-2-furanyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-[4-(2-adamantyl)phenyl]-5-[(5-iodofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-[4-(2-adamantyl)phenyl]-5-[(5-iodo-2-furyl)methylene]barbituric acid Formula: C25H23IN2O4 MolecularWeight: 542.36559

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=CC=C(C=C4)N5C(=O)C(=CC6=CC=C(O6)I)C(=O)NC5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=CC=C(C=C4)N5C(=O)/C(=C\C6=CC=C(O6)I)/C(=O)NC5=O

InChI

InChI=1S/C25H23IN2O4/c26-21-6-5-19(32-21)12-20-23(29)27-25(31)28(24(20)30)18-3-1-15(2-4-18)22-16-8-13-7-14(10-16)11-17(22)9-13/h1-6,12-14,16-17,22H,7-11H2,(H,27,29,31)/b20-12-