1-[4-(1-adamantyl)phenyl]-5-(oxidanylmethylidene)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[4-(1-adamantyl)phenyl]-5-(oxidanylmethylidene)-1,3-diazinane-2,4,6-trione Openeye Name: 1-[4-(1-adamantyl)phenyl]-5-(hydroxymethylene)hexahydropyrimidine-2,4,6-trione CAS Name: 1-[4-(1-adamantyl)phenyl]-5-(hydroxymethylidene)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[4-(1-adamantyl)phenyl]-5-(hydroxymethylidene)-1,3-diazinane-2,4,6-trione Traditional Name: 1-[4-(1-adamantyl)phenyl]-5-(hydroxymethylene)barbituric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c24-11-17-18(25)22-20(27)23(19(17)26)16-3-1-15(2-4-16)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14,24H,5-10H2,(H,22,25,27)