5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-phenethyl-5-[(piperonylamino)methylene]barbituric acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O5/c25-19-16(12-22-11-15-6-7-17-18(10-15)29-13-28-17)20(26)24(21(27)23-19)9-8-14-4-2-1-3-5-14/h1-7,10,12,22H,8-9,11,13H2,(H,23,25,27)