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

Systemtic Name: 1,3-bis[2-(1-adamantyl)-2-oxidanylidene-ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-bis[2-(1-adamantyl)-2-oxo-ethyl]-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-bis[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-bis[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-bis[2-(1-adamantyl)-2-keto-ethyl]-5-ethyl-5-phenyl-barbituric acid Formula: C36H44N2O5 MolecularWeight: 584.74496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)C23CC4CC(C2)CC(C4)C3)CC(=O)C56CC7CC(C5)CC(C7)C6)C8=CC=CC=C8

Isomeric SMILES

CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)C23CC4CC(C2)CC(C4)C3)CC(=O)C56CC7CC(C5)CC(C7)C6)C8=CC=CC=C8

InChI

InChI=1S/C36H44N2O5/c1-2-36(28-6-4-3-5-7-28)31(41)37(20-29(39)34-14-22-8-23(15-34)10-24(9-22)16-34)33(43)38(32(36)42)21-30(40)35-17-25-11-26(18-35)13-27(12-25)19-35/h3-7,22-27H,2,8-21H2,1H3