(5Z)-1-phenethyl-5-[(5S)-5-phenylpyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5Z)-1-phenethyl-5-[(5S)-5-phenylpyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-phenethyl-5-[(5S)-5-phenylpyrazolidin-3-ylidene]hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-phenethyl-5-[(5S)-5-phenyl-3-pyrazolidinylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-phenethyl-5-[(5S)-5-phenylpyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-phenethyl-5-[(5S)-5-phenylpyrazolidin-3-ylidene]barbituric acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NNC1=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C\1[C@H](NN/C1=C\2/C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c26-19-18(17-13-16(23-24-17)15-9-5-2-6-10-15)20(27)25(21(28)22-19)12-11-14-7-3-1-4-8-14/h1-10,16,23-24H,11-13H2,(H,22,26,28)/b18-17-/t16-/m0/s1