5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-butylindolin-5-yl)methylene]-1-hexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-butylindolin-5-yl)methylene]-1-hexyl-barbituric acid Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CC3=C(C=C2)N(CC3)CCCC)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=CC3=C(C=C2)N(CC3)CCCC)C(=O)NC1=O

InChI

InChI=1S/C23H31N3O3/c1-3-5-7-8-13-26-22(28)19(21(27)24-23(26)29)16-17-9-10-20-18(15-17)11-14-25(20)12-6-4-2/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,24,27,29)