1-[4-(1-adamantyl)-2-bromanyl-phenyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[4-(1-adamantyl)-2-bromanyl-phenyl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-[4-(1-adamantyl)-2-bromo-phenyl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-[4-(1-adamantyl)-2-bromophenyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[4-(1-adamantyl)-2-bromophenyl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-[4-(1-adamantyl)-2-bromo-phenyl]barbituric acid Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)N5C(=O)CC(=O)NC5=O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)N5C(=O)CC(=O)NC5=O)Br

InChI

InChI=1S/C20H21BrN2O3/c21-15-6-14(20-8-11-3-12(9-20)5-13(4-11)10-20)1-2-16(15)23-18(25)7-17(24)22-19(23)26/h1-2,6,11-13H,3-5,7-10H2,(H,22,24,26)