1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione dihydrochloride

Systemtic Name: 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione dihydrochloride Openeye Name: 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione dihydrochloride CAS Name: 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione dihydrochloride IUPAC Name: 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione dihydrochloride Traditional Name: 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-barbituric acid dihydrochloride Formula: C28H40Cl2N4O3 MolecularWeight: 551.5482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN(CC)CC)CC#CCN(CC)CC)C2=CC=CC=C2.Cl.Cl

Isomeric SMILES

CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN(CC)CC)CC#CCN(CC)CC)C2=CC=CC=C2.Cl.Cl

InChI

InChI=1S/C28H38N4O3.2ClH/c1-6-28(24-18-12-11-13-19-24)25(33)31(22-16-14-20-29(7-2)8-3)27(35)32(26(28)34)23-17-15-21-30(9-4)10-5;;/h11-13,18-19H,6-10,20-23H2,1-5H3;2*1H